Supplemental Information

This notebook is intended to serve as a supplement to the manuscript "High-throughput workflows for determining adsorption energies on solid surfaces." It outlines basic use of the code and workflow software that has been developed for processing surface slabs and placing adsorbates according to symmetrically distinct sites on surface facets.

Installation

To use this notebook, we recommend installing python via Anaconda, which includes jupyter and the associated iPython notebook software.

The code used in this project primarily makes use of two packages, pymatgen and atomate, which are installable via pip or the matsci channel on conda (e. g. conda install -c matsci pymatgen atomate). Development versions with editable code may be installed by cloning the repositories and using python setup.py develop.

Example 1: AdsorbateSiteFinder (pymatgen)

An example using the the AdsorbateSiteFinder class in pymatgen is shown below. We begin with an import statement for the necessay modules. To use the MP RESTful interface, you must provide your own API key either in the MPRester call i.e. mpr=MPRester("YOUR_API_KEY") or provide in in your .pmgrc.yaml configuration file. API keys can be accessed at materialsproject.org under your "Dashboard."

In [1]:
# Import statements
from pymatgen import Structure, Lattice, MPRester, Molecule
from pymatgen.analysis.adsorption import *
from pymatgen.core.surface import generate_all_slabs
from pymatgen.symmetry.analyzer import SpacegroupAnalyzer
from matplotlib import pyplot as plt
%matplotlib inline
# Note that you must provide your own API Key, which can
# be accessed via the Dashboard at materialsproject.org
mpr = MPRester()

We create a simple fcc structure, generate it's distinct slabs, and select the slab with a miller index of (1, 1, 1).

In [2]:
fcc_ni = Structure.from_spacegroup("Fm-3m", Lattice.cubic(3.5), ["Ni"], [[0, 0, 0]])
slabs = generate_all_slabs(fcc_ni, max_index=1, min_slab_size=8.0,
                           min_vacuum_size=10.0)
ni_111 = [slab for slab in slabs if slab.miller_index==(1,1,1)][0]

We make an instance of the AdsorbateSiteFinder and use it to find the relevant adsorption sites.

In [3]:
asf_ni_111 = AdsorbateSiteFinder(ni_111)
ads_sites = asf_ni_111.find_adsorption_sites()
print(ads_sites)
assert len(ads_sites) == 4
{'ontop': [array([1.23743687, 0.71443451, 9.0725408 ])], 'bridge': [array([-0.61871843,  1.78608627,  9.0725408 ])], 'hollow': [array([4.27067681e-16, 7.39702921e-16, 9.07254080e+00]), array([8.80455477e-16, 1.42886902e+00, 9.07254080e+00])], 'all': [array([1.23743687, 0.71443451, 9.0725408 ]), array([-0.61871843,  1.78608627,  9.0725408 ]), array([4.27067681e-16, 7.39702921e-16, 9.07254080e+00]), array([1.63125081e-15, 1.42886902e+00, 9.07254080e+00])]}

We visualize the sites using a tool from pymatgen.

In [4]:
fig = plt.figure()
ax = fig.add_subplot(111)
plot_slab(ni_111, ax, adsorption_sites=True)
Out[4]:
<matplotlib.axes._subplots.AxesSubplot at 0x11809a2e8>

Use the AdsorbateSiteFinder.generate_adsorption_structures method to generate structures of adsorbates.

In [5]:
fig = plt.figure()
ax = fig.add_subplot(111)
adsorbate = Molecule("H", [[0, 0, 0]])
ads_structs = asf_ni_111.generate_adsorption_structures(adsorbate, 
                                                        repeat=[1, 1, 1])
plot_slab(ads_structs[0], ax, adsorption_sites=False, decay=0.09)
Out[5]:
<matplotlib.axes._subplots.AxesSubplot at 0x11847eb38>

Example 2: AdsorbateSiteFinder for various surfaces

In this example, the AdsorbateSiteFinder is used to find adsorption sites on different structures and miller indices.

In [6]:
fig = plt.figure()
axes = [fig.add_subplot(2, 3, i) for i in range(1, 7)]
mats = {"mp-23":(1, 0, 0),   # FCC Ni
        "mp-2":(1, 1, 0),   # FCC Au
        "mp-13":(1, 1, 0),   # BCC Fe
        "mp-33":(0, 0, 1), # HCP Ru
        "mp-30": (2, 1, 1),
        "mp-5229":(1, 0, 0),
        } # Cubic SrTiO3
        #"mp-2133":(0, 1, 1)} # Wurtzite ZnO

for n, (mp_id, m_index) in enumerate(mats.items()):
    struct = mpr.get_structure_by_material_id(mp_id)
    struct = SpacegroupAnalyzer(struct).get_conventional_standard_structure()
    slabs = generate_all_slabs(struct, 1, 5.0, 2.0, center_slab=True)
    slab_dict = {slab.miller_index:slab for slab in slabs}
    asf = AdsorbateSiteFinder.from_bulk_and_miller(struct, m_index, undercoord_threshold=0.10)
    plot_slab(asf.slab, axes[n])
    ads_sites = asf.find_adsorption_sites()
    sop = get_rot(asf.slab)
    ads_sites = [sop.operate(ads_site)[:2].tolist()
                 for ads_site in ads_sites["all"]]
    axes[n].plot(*zip(*ads_sites), color='k', marker='x', 
                 markersize=10, mew=1, linestyle='', zorder=10000)
    mi_string = "".join([str(i) for i in m_index])
    axes[n].set_title("{}({})".format(struct.composition.reduced_formula, mi_string))
    axes[n].set_xticks([])
    axes[n].set_yticks([])
    
axes[4].set_xlim(-2, 5)
axes[4].set_ylim(-2, 5)
fig.savefig('slabs.png', dpi=200)
In [7]:
!open slabs.png

Example 3: Generating a workflow from atomate

In this example, we demonstrate how MatMethods may be used to generate a full workflow for the determination of DFT-energies from which adsorption energies may be calculated. Note that this requires a working instance of FireWorks and its dependency, MongoDB. Note that MongoDB can be installed via Anaconda.

In [8]:
from fireworks import LaunchPad
lpad = LaunchPad()
In [9]:
lpad.reset('', require_password=False)
2018-07-24 09:56:31,982 INFO Performing db tune-up
2018-07-24 09:56:31,995 INFO LaunchPad was RESET.

Import the necessary workflow-generating function from atomate:

In [10]:
from atomate.vasp.workflows.base.adsorption import get_wf_surface, get_wf_surface_all_slabs

Adsorption configurations take the form of a dictionary with the miller index as a string key and a list of pymatgen Molecule instances as the values.

In [11]:
co = Molecule("CO", [[0, 0, 0], [0, 0, 1.23]])
h = Molecule("H", [[0, 0, 0]])

Workflows are generated using the a slab a list of molecules.

In [12]:
struct = mpr.get_structure_by_material_id("mp-23") # fcc Ni
struct = SpacegroupAnalyzer(struct).get_conventional_standard_structure()
slabs = generate_all_slabs(struct, 1, 5.0, 2.0, center_slab=True)
slab_dict = {slab.miller_index:slab for slab in slabs}

ni_slab_111 = slab_dict[(1, 1, 1)]
wf = get_wf_surface([ni_slab_111], molecules=[co, h])
lpad.add_wf(wf)
2018-07-24 09:56:33,057 INFO Added a workflow. id_map: {-9: 1, -8: 2, -7: 3, -6: 4, -5: 5, -4: 6, -3: 7, -2: 8, -1: 9}
Out[12]:
{-9: 1, -8: 2, -7: 3, -6: 4, -5: 5, -4: 6, -3: 7, -2: 8, -1: 9}

The workflow may be inspected as below. Note that there are 9 optimization tasks correponding the slab, and 4 distinct adsorption configurations for each of the 2 adsorbates. Details on running FireWorks, including singleshot launching, queue submission, workflow management, and more can be found in the FireWorks documentation.

In [13]:
lpad.get_wf_summary_dict(1)
Out[13]:
{'created_on': datetime.datetime(2018, 7, 24, 16, 56, 32, 939000),
 'launch_dirs': OrderedDict([('Ni27H-H1-Ni_(1, 1, 1) adsorbate optimization 3--1',
               []),
              ('Ni27H-H1-Ni_(1, 1, 1) adsorbate optimization 2--2', []),
              ('Ni27H-H1-Ni_(1, 1, 1) adsorbate optimization 1--3', []),
              ('Ni27H-H1-Ni_(1, 1, 1) adsorbate optimization 0--4', []),
              ('Ni27CO-C1 O1-Ni_(1, 1, 1) adsorbate optimization 3--5', []),
              ('Ni27CO-C1 O1-Ni_(1, 1, 1) adsorbate optimization 2--6', []),
              ('Ni27CO-C1 O1-Ni_(1, 1, 1) adsorbate optimization 1--7', []),
              ('Ni27CO-C1 O1-Ni_(1, 1, 1) adsorbate optimization 0--8', []),
              ('Ni-Ni_(1, 1, 1) slab optimization--9', [])]),
 'name': '9 surfaces wf, e.g., Ni-Ni_(1, 1, 1) slab optimization',
 'state': 'READY',
 'states': OrderedDict([('Ni27H-H1-Ni_(1, 1, 1) adsorbate optimization 3--1',
               'READY'),
              ('Ni27H-H1-Ni_(1, 1, 1) adsorbate optimization 2--2', 'READY'),
              ('Ni27H-H1-Ni_(1, 1, 1) adsorbate optimization 1--3', 'READY'),
              ('Ni27H-H1-Ni_(1, 1, 1) adsorbate optimization 0--4', 'READY'),
              ('Ni27CO-C1 O1-Ni_(1, 1, 1) adsorbate optimization 3--5',
               'READY'),
              ('Ni27CO-C1 O1-Ni_(1, 1, 1) adsorbate optimization 2--6',
               'READY'),
              ('Ni27CO-C1 O1-Ni_(1, 1, 1) adsorbate optimization 1--7',
               'READY'),
              ('Ni27CO-C1 O1-Ni_(1, 1, 1) adsorbate optimization 0--8',
               'READY'),
              ('Ni-Ni_(1, 1, 1) slab optimization--9', 'READY')]),
 'updated_on': datetime.datetime(2018, 7, 24, 16, 56, 32, 939000)}

Note also that running FireWorks via atomate may require system specific tuning (e. g. for VASP parameters). More information is available in the atomate documentation.

Example 4 - Screening of oxygen evolution electrocatalysts on binary oxides

This final example is intended to demonstrate how to use the MP API and the adsorption workflow to do an initial high-throughput study of oxygen evolution electrocatalysis on binary oxides of transition metals.

In [14]:
from pymatgen.core.periodic_table import *
from pymatgen.core.surface import get_symmetrically_distinct_miller_indices
import tqdm

lpad.reset('', require_password=False)
2018-07-24 09:56:33,079 INFO Performing db tune-up
2018-07-24 09:56:33,088 INFO LaunchPad was RESET.

For oxygen evolution, a common metric for the catalytic activity of a given catalyst is the theoretical overpotential corresponding to the mechanism that proceeds through OH*, O*, and OOH*. So we can define our adsorbates:

In [15]:
OH = Molecule("OH", [[0, 0, 0], [-0.793, 0.384, 0.422]])
O = Molecule("O", [[0, 0, 0]])
OOH = Molecule("OOH", [[0, 0, 0], [-1.067, -0.403, 0.796], 
                       [-0.696, -0.272, 1.706]])
adsorbates = [OH, O, OOH]

Then we can retrieve the structures using the MP rest interface, and write a simple for loop which creates all of the workflows corresponding to every slab and every adsorption site for each material. The code below will take ~15 minutes. This could be parallelized to be more efficient, but is not for simplicity in this case.

In [16]:
elements = [Element.from_Z(i) for i in range(1, 103)]
trans_metals = [el for el in elements if el.is_transition_metal]
# tqdm adds a progress bar so we can see the progress of the for loop
for metal in tqdm.tqdm_notebook(trans_metals):
    # Get relatively stable structures with small unit cells
    data = mpr.get_data("{}-O".format(metal.symbol))
    data = [datum for datum in data if datum["e_above_hull"] < 0.05]
    data = sorted(data, key = lambda x: x["nsites"])
    struct = Structure.from_str(data[0]["cif"], fmt='cif')
    # Put in conventional cell settings
    struct = SpacegroupAnalyzer(struct).get_conventional_standard_structure()
    # Get distinct miller indices for low-index facets
    wf = get_wf_surface_all_slabs(struct, adsorbates)
    lpad.add_wf(wf)
    print("Processed: {}".format(struct.formula))
2018-07-24 09:58:07,542 INFO Added a workflow. id_map: {-1777: 1, -1776: 2, -1775: 3, -1774: 4, -1773: 5, -1772: 6, -1771: 7, -1770: 8, -1769: 9, -1768: 10, -1767: 11, -1766: 12, -1765: 13, -1764: 14, -1763: 15, -1762: 16, -1761: 17, -1760: 18, -1759: 19, -1758: 20, -1757: 21, -1756: 22, -1755: 23, -1754: 24, -1753: 25, -1752: 26, -1751: 27, -1750: 28, -1749: 29, -1748: 30, -1747: 31, -1746: 32, -1745: 33, -1744: 34, -1743: 35, -1742: 36, -1741: 37, -1740: 38, -1739: 39, -1738: 40, -1737: 41, -1736: 42, -1735: 43, -1734: 44, -1733: 45, -1732: 46, -1731: 47, -1730: 48, -1729: 49, -1728: 50, -1727: 51, -1726: 52, -1725: 53, -1724: 54, -1723: 55, -1722: 56, -1721: 57, -1720: 58, -1719: 59, -1718: 60, -1717: 61, -1716: 62, -1715: 63, -1714: 64, -1713: 65, -1712: 66, -1711: 67, -1710: 68, -1709: 69, -1708: 70, -1707: 71, -1706: 72, -1705: 73, -1704: 74, -1703: 75, -1702: 76, -1701: 77, -1700: 78, -1699: 79, -1698: 80, -1697: 81, -1696: 82, -1695: 83, -1694: 84, -1693: 85, -1692: 86, -1691: 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Processed: Sc12 O18
2018-07-24 09:58:14,652 INFO Added a workflow. id_map: {-2132: 1769, -2131: 1770, -2130: 1771, -2129: 1772, -2128: 1773, -2127: 1774, -2126: 1775, -2125: 1776, -2124: 1777, -2123: 1778, -2122: 1779, -2121: 1780, -2120: 1781, -2119: 1782, -2118: 1783, -2117: 1784, -2116: 1785, -2115: 1786, -2114: 1787, -2113: 1788, -2112: 1789, -2111: 1790, -2110: 1791, -2109: 1792, -2108: 1793, -2107: 1794, -2106: 1795, -2105: 1796, -2104: 1797, -2103: 1798, -2102: 1799, -2101: 1800, -2100: 1801, -2099: 1802, -2098: 1803, -2097: 1804, -2096: 1805, -2095: 1806, -2094: 1807, -2093: 1808, -2092: 1809, -2091: 1810, -2090: 1811, -2089: 1812, -2088: 1813, -2087: 1814, -2086: 1815, -2085: 1816, -2084: 1817, -2083: 1818, -2082: 1819, -2081: 1820, -2080: 1821, -2079: 1822, -2078: 1823, -2077: 1824, -2076: 1825, -2075: 1826, -2074: 1827, -2073: 1828, -2072: 1829, -2071: 1830, -2070: 1831, -2069: 1832, -2068: 1833, -2067: 1834, -2066: 1835, -2065: 1836, -2064: 1837, -2063: 1838, -2062: 1839, -2061: 1840, -2060: 1841, -2059: 1842, -2058: 1843, -2057: 1844, -2056: 1845, -2055: 1846, -2054: 1847, -2053: 1848, -2052: 1849, -2051: 1850, -2050: 1851, -2049: 1852, -2048: 1853, -2047: 1854, -2046: 1855, -2045: 1856, -2044: 1857, -2043: 1858, -2042: 1859, -2041: 1860, -2040: 1861, -2039: 1862, -2038: 1863, -2037: 1864, -2036: 1865, -2035: 1866, -2034: 1867, -2033: 1868, -2032: 1869, -2031: 1870, -2030: 1871, -2029: 1872, -2028: 1873, -2027: 1874, -2026: 1875, -2025: 1876, -2024: 1877, -2023: 1878, -2022: 1879, -2021: 1880, -2020: 1881, -2019: 1882, -2018: 1883, -2017: 1884, -2016: 1885, -2015: 1886, -2014: 1887, -2013: 1888, -2012: 1889, -2011: 1890, -2010: 1891, -2009: 1892, -2008: 1893, -2007: 1894, -2006: 1895, -2005: 1896, -2004: 1897, -2003: 1898, -2002: 1899, -2001: 1900, -2000: 1901, -1999: 1902, -1998: 1903, -1997: 1904, -1996: 1905, -1995: 1906, -1994: 1907, -1993: 1908, -1992: 1909, -1991: 1910, -1990: 1911, -1989: 1912, -1988: 1913, -1987: 1914, -1986: 1915, -1985: 1916, -1984: 1917, -1983: 1918, -1982: 1919, -1981: 1920, -1980: 1921, -1979: 1922, -1978: 1923, -1977: 1924, -1976: 1925, -1975: 1926, -1974: 1927, -1973: 1928, -1972: 1929, -1971: 1930, -1970: 1931, -1969: 1932, -1968: 1933, -1967: 1934, -1966: 1935, -1965: 1936, -1964: 1937, -1963: 1938, -1962: 1939, -1961: 1940, -1960: 1941, -1959: 1942, -1958: 1943, -1957: 1944, -1956: 1945, -1955: 1946, -1954: 1947, -1953: 1948, -1952: 1949, -1951: 1950, -1950: 1951, -1949: 1952, -1948: 1953, -1947: 1954, -1946: 1955, -1945: 1956, -1944: 1957, -1943: 1958, -1942: 1959, -1941: 1960, -1940: 1961, -1939: 1962, -1938: 1963, -1937: 1964, -1936: 1965, -1935: 1966, -1934: 1967, -1933: 1968, -1932: 1969, -1931: 1970, -1930: 1971, -1929: 1972, -1928: 1973, -1927: 1974, -1926: 1975, -1925: 1976, -1924: 1977, -1923: 1978, -1922: 1979, -1921: 1980, -1920: 1981, -1919: 1982, -1918: 1983, -1917: 1984, -1916: 1985, -1915: 1986, -1914: 1987, -1913: 1988, -1912: 1989, -1911: 1990, -1910: 1991, -1909: 1992, -1908: 1993, -1907: 1994, -1906: 1995, -1905: 1996, -1904: 1997, -1903: 1998, -1902: 1999, -1901: 2000, -1900: 2001, -1899: 2002, -1898: 2003, -1897: 2004, -1896: 2005, -1895: 2006, -1894: 2007, -1893: 2008, -1892: 2009, -1891: 2010, -1890: 2011, -1889: 2012, -1888: 2013, -1887: 2014, -1886: 2015, -1885: 2016, -1884: 2017, -1883: 2018, -1882: 2019, -1881: 2020, -1880: 2021, -1879: 2022, -1878: 2023, -1877: 2024, -1876: 2025, -1875: 2026, -1874: 2027, -1873: 2028, -1872: 2029, -1871: 2030, -1870: 2031, -1869: 2032, -1868: 2033, -1867: 2034, -1866: 2035, -1865: 2036, -1864: 2037, -1863: 2038, -1862: 2039, -1861: 2040, -1860: 2041, -1859: 2042, -1858: 2043, -1857: 2044, -1856: 2045, -1855: 2046, -1854: 2047, -1853: 2048, -1852: 2049, -1851: 2050, -1850: 2051, -1849: 2052, -1848: 2053, -1847: 2054, -1846: 2055, -1845: 2056, -1844: 2057, -1843: 2058, -1842: 2059, -1841: 2060, -1840: 2061, -1839: 2062, -1838: 2063, -1837: 2064, -1836: 2065, -1835: 2066, -1834: 2067, -1833: 2068, -1832: 2069, -1831: 2070, -1830: 2071, -1829: 2072, -1828: 2073, -1827: 2074, -1826: 2075, -1825: 2076, -1824: 2077, -1823: 2078, -1822: 2079, -1821: 2080, -1820: 2081, -1819: 2082, -1818: 2083, -1817: 2084, -1816: 2085, -1815: 2086, -1814: 2087, -1813: 2088, -1812: 2089, -1811: 2090, -1810: 2091, -1809: 2092, -1808: 2093, -1807: 2094, -1806: 2095, -1805: 2096, -1804: 2097, -1803: 2098, -1802: 2099, -1801: 2100, -1800: 2101, -1799: 2102, -1798: 2103, -1797: 2104, -1796: 2105, -1795: 2106, -1794: 2107, -1793: 2108, -1792: 2109, -1791: 2110, -1790: 2111, -1789: 2112, -1788: 2113, -1787: 2114, -1786: 2115, -1785: 2116, -1784: 2117, -1783: 2118, -1782: 2119, -1781: 2120, -1780: 2121, -1779: 2122, -1778: 2123}
Processed: Ti2 O1
2018-07-24 09:58:19,008 INFO Added a workflow. id_map: {-2294: 2124, -2293: 2125, -2292: 2126, -2291: 2127, -2290: 2128, -2289: 2129, -2288: 2130, -2287: 2131, -2286: 2132, -2285: 2133, -2284: 2134, -2283: 2135, -2282: 2136, -2281: 2137, -2280: 2138, -2279: 2139, -2278: 2140, -2277: 2141, -2276: 2142, -2275: 2143, -2274: 2144, -2273: 2145, -2272: 2146, -2271: 2147, -2270: 2148, -2269: 2149, -2268: 2150, -2267: 2151, -2266: 2152, -2265: 2153, -2264: 2154, -2263: 2155, -2262: 2156, -2261: 2157, -2260: 2158, -2259: 2159, -2258: 2160, -2257: 2161, -2256: 2162, -2255: 2163, -2254: 2164, -2253: 2165, -2252: 2166, -2251: 2167, -2250: 2168, -2249: 2169, -2248: 2170, -2247: 2171, -2246: 2172, -2245: 2173, -2244: 2174, -2243: 2175, -2242: 2176, -2241: 2177, -2240: 2178, -2239: 2179, -2238: 2180, -2237: 2181, -2236: 2182, -2235: 2183, -2234: 2184, -2233: 2185, -2232: 2186, -2231: 2187, -2230: 2188, -2229: 2189, -2228: 2190, -2227: 2191, -2226: 2192, -2225: 2193, -2224: 2194, -2223: 2195, -2222: 2196, -2221: 2197, -2220: 2198, -2219: 2199, -2218: 2200, -2217: 2201, -2216: 2202, -2215: 2203, -2214: 2204, -2213: 2205, -2212: 2206, -2211: 2207, -2210: 2208, -2209: 2209, -2208: 2210, -2207: 2211, -2206: 2212, -2205: 2213, -2204: 2214, -2203: 2215, -2202: 2216, -2201: 2217, -2200: 2218, -2199: 2219, -2198: 2220, -2197: 2221, -2196: 2222, -2195: 2223, -2194: 2224, -2193: 2225, -2192: 2226, -2191: 2227, -2190: 2228, -2189: 2229, -2188: 2230, -2187: 2231, -2186: 2232, -2185: 2233, -2184: 2234, -2183: 2235, -2182: 2236, -2181: 2237, -2180: 2238, -2179: 2239, -2178: 2240, -2177: 2241, -2176: 2242, -2175: 2243, -2174: 2244, -2173: 2245, -2172: 2246, -2171: 2247, -2170: 2248, -2169: 2249, -2168: 2250, -2167: 2251, -2166: 2252, -2165: 2253, -2164: 2254, -2163: 2255, -2162: 2256, -2161: 2257, -2160: 2258, -2159: 2259, -2158: 2260, -2157: 2261, -2156: 2262, -2155: 2263, -2154: 2264, -2153: 2265, -2152: 2266, -2151: 2267, -2150: 2268, -2149: 2269, -2148: 2270, -2147: 2271, -2146: 2272, -2145: 2273, -2144: 2274, -2143: 2275, -2142: 2276, -2141: 2277, -2140: 2278, -2139: 2279, -2138: 2280, -2137: 2281, -2136: 2282, -2135: 2283, -2134: 2284, -2133: 2285}
Processed: V3 O3
2018-07-24 09:58:33,998 INFO Added a workflow. id_map: {-2862: 2286, -2861: 2287, -2860: 2288, -2859: 2289, -2858: 2290, -2857: 2291, -2856: 2292, -2855: 2293, -2854: 2294, -2853: 2295, -2852: 2296, -2851: 2297, -2850: 2298, -2849: 2299, -2848: 2300, -2847: 2301, -2846: 2302, -2845: 2303, -2844: 2304, -2843: 2305, -2842: 2306, -2841: 2307, -2840: 2308, -2839: 2309, -2838: 2310, -2837: 2311, -2836: 2312, -2835: 2313, -2834: 2314, -2833: 2315, -2832: 2316, -2831: 2317, -2830: 2318, -2829: 2319, -2828: 2320, -2827: 2321, -2826: 2322, -2825: 2323, -2824: 2324, -2823: 2325, -2822: 2326, -2821: 2327, -2820: 2328, -2819: 2329, -2818: 2330, -2817: 2331, -2816: 2332, -2815: 2333, -2814: 2334, -2813: 2335, -2812: 2336, -2811: 2337, -2810: 2338, -2809: 2339, -2808: 2340, -2807: 2341, -2806: 2342, -2805: 2343, -2804: 2344, -2803: 2345, -2802: 2346, -2801: 2347, -2800: 2348, -2799: 2349, -2798: 2350, -2797: 2351, -2796: 2352, -2795: 2353, -2794: 2354, -2793: 2355, -2792: 2356, -2791: 2357, -2790: 2358, -2789: 2359, -2788: 2360, -2787: 2361, -2786: 2362, -2785: 2363, -2784: 2364, -2783: 2365, -2782: 2366, -2781: 2367, -2780: 2368, -2779: 2369, -2778: 2370, -2777: 2371, -2776: 2372, -2775: 2373, -2774: 2374, -2773: 2375, -2772: 2376, -2771: 2377, -2770: 2378, -2769: 2379, -2768: 2380, -2767: 2381, -2766: 2382, -2765: 2383, -2764: 2384, -2763: 2385, -2762: 2386, -2761: 2387, -2760: 2388, -2759: 2389, -2758: 2390, -2757: 2391, -2756: 2392, -2755: 2393, -2754: 2394, -2753: 2395, -2752: 2396, -2751: 2397, -2750: 2398, -2749: 2399, -2748: 2400, -2747: 2401, -2746: 2402, -2745: 2403, -2744: 2404, -2743: 2405, -2742: 2406, -2741: 2407, -2740: 2408, -2739: 2409, -2738: 2410, -2737: 2411, -2736: 2412, -2735: 2413, -2734: 2414, -2733: 2415, -2732: 2416, -2731: 2417, -2730: 2418, -2729: 2419, -2728: 2420, -2727: 2421, -2726: 2422, -2725: 2423, -2724: 2424, -2723: 2425, -2722: 2426, -2721: 2427, -2720: 2428, -2719: 2429, -2718: 2430, -2717: 2431, -2716: 2432, -2715: 2433, -2714: 2434, -2713: 2435, -2712: 2436, -2711: 2437, -2710: 2438, -2709: 2439, -2708: 2440, -2707: 2441, -2706: 2442, -2705: 2443, -2704: 2444, -2703: 2445, -2702: 2446, -2701: 2447, -2700: 2448, -2699: 2449, -2698: 2450, -2697: 2451, -2696: 2452, -2695: 2453, -2694: 2454, -2693: 2455, -2692: 2456, -2691: 2457, -2690: 2458, -2689: 2459, -2688: 2460, -2687: 2461, -2686: 2462, -2685: 2463, -2684: 2464, -2683: 2465, -2682: 2466, -2681: 2467, -2680: 2468, -2679: 2469, -2678: 2470, -2677: 2471, -2676: 2472, -2675: 2473, -2674: 2474, -2673: 2475, -2672: 2476, -2671: 2477, -2670: 2478, -2669: 2479, -2668: 2480, -2667: 2481, -2666: 2482, -2665: 2483, -2664: 2484, -2663: 2485, -2662: 2486, -2661: 2487, -2660: 2488, -2659: 2489, -2658: 2490, -2657: 2491, -2656: 2492, -2655: 2493, -2654: 2494, -2653: 2495, -2652: 2496, -2651: 2497, -2650: 2498, -2649: 2499, -2648: 2500, -2647: 2501, -2646: 2502, -2645: 2503, -2644: 2504, -2643: 2505, -2642: 2506, -2641: 2507, -2640: 2508, -2639: 2509, -2638: 2510, -2637: 2511, -2636: 2512, -2635: 2513, -2634: 2514, -2633: 2515, -2632: 2516, -2631: 2517, -2630: 2518, -2629: 2519, -2628: 2520, -2627: 2521, -2626: 2522, -2625: 2523, -2624: 2524, -2623: 2525, -2622: 2526, -2621: 2527, -2620: 2528, -2619: 2529, -2618: 2530, -2617: 2531, -2616: 2532, -2615: 2533, -2614: 2534, -2613: 2535, -2612: 2536, -2611: 2537, -2610: 2538, -2609: 2539, -2608: 2540, -2607: 2541, -2606: 2542, -2605: 2543, -2604: 2544, -2603: 2545, -2602: 2546, -2601: 2547, -2600: 2548, -2599: 2549, -2598: 2550, -2597: 2551, -2596: 2552, -2595: 2553, -2594: 2554, -2593: 2555, -2592: 2556, -2591: 2557, -2590: 2558, -2589: 2559, -2588: 2560, -2587: 2561, -2586: 2562, -2585: 2563, -2584: 2564, -2583: 2565, -2582: 2566, -2581: 2567, -2580: 2568, -2579: 2569, -2578: 2570, -2577: 2571, -2576: 2572, -2575: 2573, -2574: 2574, -2573: 2575, -2572: 2576, -2571: 2577, -2570: 2578, -2569: 2579, -2568: 2580, -2567: 2581, -2566: 2582, -2565: 2583, -2564: 2584, -2563: 2585, -2562: 2586, -2561: 2587, -2560: 2588, -2559: 2589, -2558: 2590, -2557: 2591, -2556: 2592, -2555: 2593, -2554: 2594, -2553: 2595, -2552: 2596, -2551: 2597, -2550: 2598, -2549: 2599, -2548: 2600, -2547: 2601, -2546: 2602, -2545: 2603, -2544: 2604, -2543: 2605, -2542: 2606, -2541: 2607, -2540: 2608, -2539: 2609, -2538: 2610, -2537: 2611, -2536: 2612, -2535: 2613, -2534: 2614, -2533: 2615, -2532: 2616, -2531: 2617, -2530: 2618, -2529: 2619, -2528: 2620, -2527: 2621, -2526: 2622, -2525: 2623, -2524: 2624, -2523: 2625, -2522: 2626, -2521: 2627, -2520: 2628, -2519: 2629, -2518: 2630, -2517: 2631, -2516: 2632, -2515: 2633, -2514: 2634, -2513: 2635, -2512: 2636, -2511: 2637, -2510: 2638, -2509: 2639, -2508: 2640, -2507: 2641, -2506: 2642, -2505: 2643, -2504: 2644, -2503: 2645, -2502: 2646, -2501: 2647, -2500: 2648, -2499: 2649, -2498: 2650, -2497: 2651, -2496: 2652, -2495: 2653, -2494: 2654, -2493: 2655, -2492: 2656, -2491: 2657, -2490: 2658, -2489: 2659, -2488: 2660, -2487: 2661, -2486: 2662, -2485: 2663, -2484: 2664, -2483: 2665, -2482: 2666, -2481: 2667, -2480: 2668, -2479: 2669, -2478: 2670, -2477: 2671, -2476: 2672, -2475: 2673, -2474: 2674, -2473: 2675, -2472: 2676, -2471: 2677, -2470: 2678, -2469: 2679, -2468: 2680, -2467: 2681, -2466: 2682, -2465: 2683, -2464: 2684, -2463: 2685, -2462: 2686, -2461: 2687, -2460: 2688, -2459: 2689, -2458: 2690, -2457: 2691, -2456: 2692, -2455: 2693, -2454: 2694, -2453: 2695, -2452: 2696, -2451: 2697, -2450: 2698, -2449: 2699, -2448: 2700, -2447: 2701, -2446: 2702, -2445: 2703, -2444: 2704, -2443: 2705, -2442: 2706, -2441: 2707, -2440: 2708, -2439: 2709, -2438: 2710, -2437: 2711, -2436: 2712, -2435: 2713, -2434: 2714, -2433: 2715, -2432: 2716, -2431: 2717, -2430: 2718, -2429: 2719, -2428: 2720, -2427: 2721, -2426: 2722, -2425: 2723, -2424: 2724, -2423: 2725, -2422: 2726, -2421: 2727, -2420: 2728, -2419: 2729, -2418: 2730, -2417: 2731, -2416: 2732, -2415: 2733, -2414: 2734, -2413: 2735, -2412: 2736, -2411: 2737, -2410: 2738, -2409: 2739, -2408: 2740, -2407: 2741, -2406: 2742, -2405: 2743, -2404: 2744, -2403: 2745, -2402: 2746, -2401: 2747, -2400: 2748, -2399: 2749, -2398: 2750, -2397: 2751, -2396: 2752, -2395: 2753, -2394: 2754, -2393: 2755, -2392: 2756, -2391: 2757, -2390: 2758, -2389: 2759, -2388: 2760, -2387: 2761, -2386: 2762, -2385: 2763, -2384: 2764, -2383: 2765, -2382: 2766, -2381: 2767, -2380: 2768, -2379: 2769, -2378: 2770, -2377: 2771, -2376: 2772, -2375: 2773, -2374: 2774, -2373: 2775, -2372: 2776, -2371: 2777, -2370: 2778, -2369: 2779, -2368: 2780, -2367: 2781, -2366: 2782, -2365: 2783, -2364: 2784, -2363: 2785, -2362: 2786, -2361: 2787, -2360: 2788, -2359: 2789, -2358: 2790, -2357: 2791, -2356: 2792, -2355: 2793, -2354: 2794, -2353: 2795, -2352: 2796, -2351: 2797, -2350: 2798, -2349: 2799, -2348: 2800, -2347: 2801, -2346: 2802, -2345: 2803, -2344: 2804, -2343: 2805, -2342: 2806, -2341: 2807, -2340: 2808, -2339: 2809, -2338: 2810, -2337: 2811, -2336: 2812, -2335: 2813, -2334: 2814, -2333: 2815, -2332: 2816, -2331: 2817, -2330: 2818, -2329: 2819, -2328: 2820, -2327: 2821, -2326: 2822, -2325: 2823, -2324: 2824, -2323: 2825, -2322: 2826, -2321: 2827, -2320: 2828, -2319: 2829, -2318: 2830, -2317: 2831, -2316: 2832, -2315: 2833, -2314: 2834, -2313: 2835, -2312: 2836, -2311: 2837, -2310: 2838, -2309: 2839, -2308: 2840, -2307: 2841, -2306: 2842, -2305: 2843, -2304: 2844, -2303: 2845, -2302: 2846, -2301: 2847, -2300: 2848, -2299: 2849, -2298: 2850, -2297: 2851, -2296: 2852, -2295: 2853}
Processed: Cr2 O4
2018-07-24 09:58:35,696 INFO Added a workflow. id_map: {-2908: 2854, -2907: 2855, -2906: 2856, -2905: 2857, -2904: 2858, -2903: 2859, -2902: 2860, -2901: 2861, -2900: 2862, -2899: 2863, -2898: 2864, -2897: 2865, -2896: 2866, -2895: 2867, -2894: 2868, -2893: 2869, -2892: 2870, -2891: 2871, -2890: 2872, -2889: 2873, -2888: 2874, -2887: 2875, -2886: 2876, -2885: 2877, -2884: 2878, -2883: 2879, -2882: 2880, -2881: 2881, -2880: 2882, -2879: 2883, -2878: 2884, -2877: 2885, -2876: 2886, -2875: 2887, -2874: 2888, -2873: 2889, -2872: 2890, -2871: 2891, -2870: 2892, -2869: 2893, -2868: 2894, -2867: 2895, -2866: 2896, -2865: 2897, -2864: 2898, -2863: 2899}
Processed: Mn4 O4
2018-07-24 09:58:38,594 INFO Added a workflow. id_map: {-2998: 2900, -2997: 2901, -2996: 2902, -2995: 2903, -2994: 2904, -2993: 2905, -2992: 2906, -2991: 2907, -2990: 2908, -2989: 2909, -2988: 2910, -2987: 2911, -2986: 2912, -2985: 2913, -2984: 2914, -2983: 2915, -2982: 2916, -2981: 2917, -2980: 2918, -2979: 2919, -2978: 2920, -2977: 2921, -2976: 2922, -2975: 2923, -2974: 2924, -2973: 2925, -2972: 2926, -2971: 2927, -2970: 2928, -2969: 2929, -2968: 2930, -2967: 2931, -2966: 2932, -2965: 2933, -2964: 2934, -2963: 2935, -2962: 2936, -2961: 2937, -2960: 2938, -2959: 2939, -2958: 2940, -2957: 2941, -2956: 2942, -2955: 2943, -2954: 2944, -2953: 2945, -2952: 2946, -2951: 2947, -2950: 2948, -2949: 2949, -2948: 2950, -2947: 2951, -2946: 2952, -2945: 2953, -2944: 2954, -2943: 2955, -2942: 2956, -2941: 2957, -2940: 2958, -2939: 2959, -2938: 2960, -2937: 2961, -2936: 2962, -2935: 2963, -2934: 2964, -2933: 2965, -2932: 2966, -2931: 2967, -2930: 2968, -2929: 2969, -2928: 2970, -2927: 2971, -2926: 2972, -2925: 2973, -2924: 2974, -2923: 2975, -2922: 2976, -2921: 2977, -2920: 2978, -2919: 2979, -2918: 2980, -2917: 2981, -2916: 2982, -2915: 2983, -2914: 2984, -2913: 2985, -2912: 2986, -2911: 2987, -2910: 2988, -2909: 2989}
Processed: Fe2 O2
2018-07-24 09:58:44,373 INFO Added a workflow. id_map: {-3235: 2990, -3234: 2991, -3233: 2992, -3232: 2993, -3231: 2994, -3230: 2995, -3229: 2996, -3228: 2997, -3227: 2998, -3226: 2999, -3225: 3000, -3224: 3001, -3223: 3002, -3222: 3003, -3221: 3004, -3220: 3005, -3219: 3006, -3218: 3007, -3217: 3008, -3216: 3009, -3215: 3010, -3214: 3011, -3213: 3012, -3212: 3013, -3211: 3014, -3210: 3015, -3209: 3016, -3208: 3017, -3207: 3018, -3206: 3019, -3205: 3020, -3204: 3021, -3203: 3022, -3202: 3023, -3201: 3024, -3200: 3025, -3199: 3026, -3198: 3027, -3197: 3028, -3196: 3029, -3195: 3030, -3194: 3031, -3193: 3032, -3192: 3033, -3191: 3034, -3190: 3035, -3189: 3036, -3188: 3037, -3187: 3038, -3186: 3039, -3185: 3040, -3184: 3041, -3183: 3042, -3182: 3043, -3181: 3044, -3180: 3045, -3179: 3046, -3178: 3047, -3177: 3048, -3176: 3049, -3175: 3050, -3174: 3051, -3173: 3052, -3172: 3053, -3171: 3054, -3170: 3055, -3169: 3056, -3168: 3057, -3167: 3058, -3166: 3059, -3165: 3060, -3164: 3061, -3163: 3062, -3162: 3063, -3161: 3064, -3160: 3065, -3159: 3066, -3158: 3067, -3157: 3068, -3156: 3069, -3155: 3070, -3154: 3071, -3153: 3072, -3152: 3073, -3151: 3074, -3150: 3075, -3149: 3076, -3148: 3077, -3147: 3078, -3146: 3079, -3145: 3080, -3144: 3081, -3143: 3082, -3142: 3083, -3141: 3084, -3140: 3085, -3139: 3086, -3138: 3087, -3137: 3088, -3136: 3089, -3135: 3090, -3134: 3091, -3133: 3092, -3132: 3093, -3131: 3094, -3130: 3095, -3129: 3096, -3128: 3097, -3127: 3098, -3126: 3099, -3125: 3100, -3124: 3101, -3123: 3102, -3122: 3103, -3121: 3104, -3120: 3105, -3119: 3106, -3118: 3107, -3117: 3108, -3116: 3109, -3115: 3110, -3114: 3111, -3113: 3112, -3112: 3113, -3111: 3114, -3110: 3115, -3109: 3116, -3108: 3117, -3107: 3118, -3106: 3119, -3105: 3120, -3104: 3121, -3103: 3122, -3102: 3123, -3101: 3124, -3100: 3125, -3099: 3126, -3098: 3127, -3097: 3128, -3096: 3129, -3095: 3130, -3094: 3131, -3093: 3132, -3092: 3133, -3091: 3134, -3090: 3135, -3089: 3136, -3088: 3137, -3087: 3138, -3086: 3139, -3085: 3140, -3084: 3141, -3083: 3142, -3082: 3143, -3081: 3144, -3080: 3145, -3079: 3146, -3078: 3147, -3077: 3148, -3076: 3149, -3075: 3150, -3074: 3151, -3073: 3152, -3072: 3153, -3071: 3154, -3070: 3155, -3069: 3156, -3068: 3157, -3067: 3158, -3066: 3159, -3065: 3160, -3064: 3161, -3063: 3162, -3062: 3163, -3061: 3164, -3060: 3165, -3059: 3166, -3058: 3167, -3057: 3168, -3056: 3169, -3055: 3170, -3054: 3171, -3053: 3172, -3052: 3173, -3051: 3174, -3050: 3175, -3049: 3176, -3048: 3177, -3047: 3178, -3046: 3179, -3045: 3180, -3044: 3181, -3043: 3182, -3042: 3183, -3041: 3184, -3040: 3185, -3039: 3186, -3038: 3187, -3037: 3188, -3036: 3189, -3035: 3190, -3034: 3191, -3033: 3192, -3032: 3193, -3031: 3194, -3030: 3195, -3029: 3196, -3028: 3197, -3027: 3198, -3026: 3199, -3025: 3200, -3024: 3201, -3023: 3202, -3022: 3203, -3021: 3204, -3020: 3205, -3019: 3206, -3018: 3207, -3017: 3208, -3016: 3209, -3015: 3210, -3014: 3211, -3013: 3212, -3012: 3213, -3011: 3214, -3010: 3215, -3009: 3216, -3008: 3217, -3007: 3218, -3006: 3219, -3005: 3220, -3004: 3221, -3003: 3222, -3002: 3223, -3001: 3224, -3000: 3225, -2999: 3226}
Processed: Co3 O3
2018-07-24 09:58:45,921 INFO Added a workflow. id_map: {-3281: 3227, -3280: 3228, -3279: 3229, -3278: 3230, -3277: 3231, -3276: 3232, -3275: 3233, -3274: 3234, -3273: 3235, -3272: 3236, -3271: 3237, -3270: 3238, -3269: 3239, -3268: 3240, -3267: 3241, -3266: 3242, -3265: 3243, -3264: 3244, -3263: 3245, -3262: 3246, -3261: 3247, -3260: 3248, -3259: 3249, -3258: 3250, -3257: 3251, -3256: 3252, -3255: 3253, -3254: 3254, -3253: 3255, -3252: 3256, -3251: 3257, -3250: 3258, -3249: 3259, -3248: 3260, -3247: 3261, -3246: 3262, -3245: 3263, -3244: 3264, -3243: 3265, -3242: 3266, -3241: 3267, -3240: 3268, -3239: 3269, -3238: 3270, -3237: 3271, -3236: 3272}
Processed: Ni4 O4
2018-07-24 09:58:54,793 INFO Added a workflow. id_map: {-3611: 3273, -3610: 3274, -3609: 3275, -3608: 3276, -3607: 3277, -3606: 3278, -3605: 3279, -3604: 3280, -3603: 3281, -3602: 3282, -3601: 3283, -3600: 3284, -3599: 3285, -3598: 3286, -3597: 3287, -3596: 3288, -3595: 3289, -3594: 3290, -3593: 3291, -3592: 3292, -3591: 3293, -3590: 3294, -3589: 3295, -3588: 3296, -3587: 3297, -3586: 3298, -3585: 3299, -3584: 3300, -3583: 3301, -3582: 3302, -3581: 3303, -3580: 3304, -3579: 3305, -3578: 3306, -3577: 3307, -3576: 3308, -3575: 3309, -3574: 3310, -3573: 3311, -3572: 3312, -3571: 3313, -3570: 3314, -3569: 3315, -3568: 3316, -3567: 3317, -3566: 3318, -3565: 3319, -3564: 3320, -3563: 3321, -3562: 3322, -3561: 3323, -3560: 3324, -3559: 3325, -3558: 3326, -3557: 3327, -3556: 3328, -3555: 3329, -3554: 3330, -3553: 3331, -3552: 3332, -3551: 3333, -3550: 3334, -3549: 3335, -3548: 3336, -3547: 3337, -3546: 3338, -3545: 3339, -3544: 3340, -3543: 3341, -3542: 3342, -3541: 3343, -3540: 3344, -3539: 3345, -3538: 3346, -3537: 3347, -3536: 3348, -3535: 3349, -3534: 3350, -3533: 3351, -3532: 3352, -3531: 3353, -3530: 3354, -3529: 3355, -3528: 3356, -3527: 3357, -3526: 3358, -3525: 3359, -3524: 3360, -3523: 3361, -3522: 3362, -3521: 3363, -3520: 3364, -3519: 3365, -3518: 3366, -3517: 3367, -3516: 3368, -3515: 3369, -3514: 3370, -3513: 3371, -3512: 3372, -3511: 3373, -3510: 3374, -3509: 3375, -3508: 3376, -3507: 3377, -3506: 3378, -3505: 3379, -3504: 3380, -3503: 3381, -3502: 3382, -3501: 3383, -3500: 3384, -3499: 3385, -3498: 3386, -3497: 3387, -3496: 3388, -3495: 3389, -3494: 3390, -3493: 3391, -3492: 3392, -3491: 3393, -3490: 3394, -3489: 3395, -3488: 3396, -3487: 3397, -3486: 3398, -3485: 3399, -3484: 3400, -3483: 3401, -3482: 3402, -3481: 3403, -3480: 3404, -3479: 3405, -3478: 3406, -3477: 3407, -3476: 3408, -3475: 3409, -3474: 3410, -3473: 3411, -3472: 3412, -3471: 3413, -3470: 3414, -3469: 3415, -3468: 3416, -3467: 3417, -3466: 3418, -3465: 3419, -3464: 3420, -3463: 3421, -3462: 3422, -3461: 3423, -3460: 3424, -3459: 3425, -3458: 3426, -3457: 3427, -3456: 3428, -3455: 3429, -3454: 3430, -3453: 3431, -3452: 3432, -3451: 3433, -3450: 3434, -3449: 3435, -3448: 3436, -3447: 3437, -3446: 3438, -3445: 3439, -3444: 3440, -3443: 3441, -3442: 3442, -3441: 3443, -3440: 3444, -3439: 3445, -3438: 3446, -3437: 3447, -3436: 3448, -3435: 3449, -3434: 3450, -3433: 3451, -3432: 3452, -3431: 3453, -3430: 3454, -3429: 3455, -3428: 3456, -3427: 3457, -3426: 3458, -3425: 3459, -3424: 3460, -3423: 3461, -3422: 3462, -3421: 3463, -3420: 3464, -3419: 3465, -3418: 3466, -3417: 3467, -3416: 3468, -3415: 3469, -3414: 3470, -3413: 3471, -3412: 3472, -3411: 3473, -3410: 3474, -3409: 3475, -3408: 3476, -3407: 3477, -3406: 3478, -3405: 3479, -3404: 3480, -3403: 3481, -3402: 3482, -3401: 3483, -3400: 3484, -3399: 3485, -3398: 3486, -3397: 3487, -3396: 3488, -3395: 3489, -3394: 3490, -3393: 3491, -3392: 3492, -3391: 3493, -3390: 3494, -3389: 3495, -3388: 3496, -3387: 3497, -3386: 3498, -3385: 3499, -3384: 3500, -3383: 3501, -3382: 3502, -3381: 3503, -3380: 3504, -3379: 3505, -3378: 3506, -3377: 3507, -3376: 3508, -3375: 3509, -3374: 3510, -3373: 3511, -3372: 3512, -3371: 3513, -3370: 3514, -3369: 3515, -3368: 3516, -3367: 3517, -3366: 3518, -3365: 3519, -3364: 3520, -3363: 3521, -3362: 3522, -3361: 3523, -3360: 3524, -3359: 3525, -3358: 3526, -3357: 3527, -3356: 3528, -3355: 3529, -3354: 3530, -3353: 3531, -3352: 3532, -3351: 3533, -3350: 3534, -3349: 3535, -3348: 3536, -3347: 3537, -3346: 3538, -3345: 3539, -3344: 3540, -3343: 3541, -3342: 3542, -3341: 3543, -3340: 3544, -3339: 3545, -3338: 3546, -3337: 3547, -3336: 3548, -3335: 3549, -3334: 3550, -3333: 3551, -3332: 3552, -3331: 3553, -3330: 3554, -3329: 3555, -3328: 3556, -3327: 3557, -3326: 3558, -3325: 3559, -3324: 3560, -3323: 3561, -3322: 3562, -3321: 3563, -3320: 3564, -3319: 3565, -3318: 3566, -3317: 3567, -3316: 3568, -3315: 3569, -3314: 3570, -3313: 3571, -3312: 3572, -3311: 3573, -3310: 3574, -3309: 3575, -3308: 3576, -3307: 3577, -3306: 3578, -3305: 3579, -3304: 3580, -3303: 3581, -3302: 3582, -3301: 3583, -3300: 3584, -3299: 3585, -3298: 3586, -3297: 3587, -3296: 3588, -3295: 3589, -3294: 3590, -3293: 3591, -3292: 3592, -3291: 3593, -3290: 3594, -3289: 3595, -3288: 3596, -3287: 3597, -3286: 3598, -3285: 3599, -3284: 3600, -3283: 3601, -3282: 3602}
Processed: Cu4 O4
2018-07-24 09:58:56,924 INFO Added a workflow. id_map: {-3682: 3603, -3681: 3604, -3680: 3605, -3679: 3606, -3678: 3607, -3677: 3608, -3676: 3609, -3675: 3610, -3674: 3611, -3673: 3612, -3672: 3613, -3671: 3614, -3670: 3615, -3669: 3616, -3668: 3617, -3667: 3618, -3666: 3619, -3665: 3620, -3664: 3621, -3663: 3622, -3662: 3623, -3661: 3624, -3660: 3625, -3659: 3626, -3658: 3627, -3657: 3628, -3656: 3629, -3655: 3630, -3654: 3631, -3653: 3632, -3652: 3633, -3651: 3634, -3650: 3635, -3649: 3636, -3648: 3637, -3647: 3638, -3646: 3639, -3645: 3640, -3644: 3641, -3643: 3642, -3642: 3643, -3641: 3644, -3640: 3645, -3639: 3646, -3638: 3647, -3637: 3648, -3636: 3649, -3635: 3650, -3634: 3651, -3633: 3652, -3632: 3653, -3631: 3654, -3630: 3655, -3629: 3656, -3628: 3657, -3627: 3658, -3626: 3659, -3625: 3660, -3624: 3661, -3623: 3662, -3622: 3663, -3621: 3664, -3620: 3665, -3619: 3666, -3618: 3667, -3617: 3668, -3616: 3669, -3615: 3670, -3614: 3671, -3613: 3672, -3612: 3673}
Processed: Zn4 O4
2018-07-24 10:03:48,965 INFO Added a workflow. id_map: {-9046: 3674, -9045: 3675, -9044: 3676, -9043: 3677, -9042: 3678, -9041: 3679, -9040: 3680, -9039: 3681, -9038: 3682, -9037: 3683, -9036: 3684, -9035: 3685, -9034: 3686, -9033: 3687, -9032: 3688, -9031: 3689, -9030: 3690, -9029: 3691, -9028: 3692, -9027: 3693, -9026: 3694, -9025: 3695, -9024: 3696, -9023: 3697, -9022: 3698, -9021: 3699, -9020: 3700, -9019: 3701, -9018: 3702, -9017: 3703, -9016: 3704, -9015: 3705, -9014: 3706, -9013: 3707, -9012: 3708, -9011: 3709, -9010: 3710, -9009: 3711, -9008: 3712, -9007: 3713, -9006: 3714, -9005: 3715, -9004: 3716, -9003: 3717, -9002: 3718, -9001: 3719, -9000: 3720, -8999: 3721, -8998: 3722, -8997: 3723, -8996: 3724, -8995: 3725, -8994: 3726, -8993: 3727, -8992: 3728, -8991: 3729, -8990: 3730, -8989: 3731, -8988: 3732, -8987: 3733, -8986: 3734, -8985: 3735, -8984: 3736, -8983: 3737, -8982: 3738, -8981: 3739, -8980: 3740, -8979: 3741, -8978: 3742, -8977: 3743, -8976: 3744, -8975: 3745, -8974: 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8905, -3814: 8906, -3813: 8907, -3812: 8908, -3811: 8909, -3810: 8910, -3809: 8911, -3808: 8912, -3807: 8913, -3806: 8914, -3805: 8915, -3804: 8916, -3803: 8917, -3802: 8918, -3801: 8919, -3800: 8920, -3799: 8921, -3798: 8922, -3797: 8923, -3796: 8924, -3795: 8925, -3794: 8926, -3793: 8927, -3792: 8928, -3791: 8929, -3790: 8930, -3789: 8931, -3788: 8932, -3787: 8933, -3786: 8934, -3785: 8935, -3784: 8936, -3783: 8937, -3782: 8938, -3781: 8939, -3780: 8940, -3779: 8941, -3778: 8942, -3777: 8943, -3776: 8944, -3775: 8945, -3774: 8946, -3773: 8947, -3772: 8948, -3771: 8949, -3770: 8950, -3769: 8951, -3768: 8952, -3767: 8953, -3766: 8954, -3765: 8955, -3764: 8956, -3763: 8957, -3762: 8958, -3761: 8959, -3760: 8960, -3759: 8961, -3758: 8962, -3757: 8963, -3756: 8964, -3755: 8965, -3754: 8966, -3753: 8967, -3752: 8968, -3751: 8969, -3750: 8970, -3749: 8971, -3748: 8972, -3747: 8973, -3746: 8974, -3745: 8975, -3744: 8976, -3743: 8977, -3742: 8978, -3741: 8979, -3740: 8980, -3739: 8981, -3738: 8982, -3737: 8983, -3736: 8984, -3735: 8985, -3734: 8986, -3733: 8987, -3732: 8988, -3731: 8989, -3730: 8990, -3729: 8991, -3728: 8992, -3727: 8993, -3726: 8994, -3725: 8995, -3724: 8996, -3723: 8997, -3722: 8998, -3721: 8999, -3720: 9000, -3719: 9001, -3718: 9002, -3717: 9003, -3716: 9004, -3715: 9005, -3714: 9006, -3713: 9007, -3712: 9008, -3711: 9009, -3710: 9010, -3709: 9011, -3708: 9012, -3707: 9013, -3706: 9014, -3705: 9015, -3704: 9016, -3703: 9017, -3702: 9018, -3701: 9019, -3700: 9020, -3699: 9021, -3698: 9022, -3697: 9023, -3696: 9024, -3695: 9025, -3694: 9026, -3693: 9027, -3692: 9028, -3691: 9029, -3690: 9030, -3689: 9031, -3688: 9032, -3687: 9033, -3686: 9034, -3685: 9035, -3684: 9036, -3683: 9037}
Processed: Y12 O18
2018-07-24 10:04:04,452 INFO Added a workflow. id_map: {-9573: 9038, -9572: 9039, -9571: 9040, -9570: 9041, -9569: 9042, -9568: 9043, -9567: 9044, -9566: 9045, -9565: 9046, -9564: 9047, -9563: 9048, -9562: 9049, -9561: 9050, -9560: 9051, -9559: 9052, -9558: 9053, -9557: 9054, -9556: 9055, -9555: 9056, -9554: 9057, -9553: 9058, -9552: 9059, -9551: 9060, -9550: 9061, -9549: 9062, -9548: 9063, -9547: 9064, -9546: 9065, -9545: 9066, -9544: 9067, -9543: 9068, -9542: 9069, -9541: 9070, -9540: 9071, -9539: 9072, -9538: 9073, -9537: 9074, -9536: 9075, -9535: 9076, -9534: 9077, -9533: 9078, -9532: 9079, -9531: 9080, -9530: 9081, -9529: 9082, -9528: 9083, -9527: 9084, -9526: 9085, -9525: 9086, -9524: 9087, -9523: 9088, -9522: 9089, -9521: 9090, -9520: 9091, -9519: 9092, -9518: 9093, -9517: 9094, -9516: 9095, -9515: 9096, -9514: 9097, -9513: 9098, -9512: 9099, -9511: 9100, -9510: 9101, -9509: 9102, -9508: 9103, -9507: 9104, -9506: 9105, -9505: 9106, -9504: 9107, -9503: 9108, -9502: 9109, -9501: 9110, -9500: 9111, -9499: 9112, -9498: 9113, -9497: 9114, -9496: 9115, -9495: 9116, -9494: 9117, -9493: 9118, -9492: 9119, -9491: 9120, -9490: 9121, -9489: 9122, -9488: 9123, -9487: 9124, -9486: 9125, -9485: 9126, -9484: 9127, -9483: 9128, -9482: 9129, -9481: 9130, -9480: 9131, -9479: 9132, -9478: 9133, -9477: 9134, -9476: 9135, -9475: 9136, -9474: 9137, -9473: 9138, -9472: 9139, -9471: 9140, -9470: 9141, -9469: 9142, -9468: 9143, -9467: 9144, -9466: 9145, -9465: 9146, -9464: 9147, -9463: 9148, -9462: 9149, -9461: 9150, -9460: 9151, -9459: 9152, -9458: 9153, -9457: 9154, -9456: 9155, -9455: 9156, -9454: 9157, -9453: 9158, -9452: 9159, -9451: 9160, -9450: 9161, -9449: 9162, -9448: 9163, -9447: 9164, -9446: 9165, -9445: 9166, -9444: 9167, -9443: 9168, -9442: 9169, -9441: 9170, -9440: 9171, -9439: 9172, -9438: 9173, -9437: 9174, -9436: 9175, -9435: 9176, -9434: 9177, -9433: 9178, -9432: 9179, -9431: 9180, -9430: 9181, -9429: 9182, -9428: 9183, -9427: 9184, -9426: 9185, -9425: 9186, -9424: 9187, -9423: 9188, -9422: 9189, -9421: 9190, -9420: 9191, -9419: 9192, -9418: 9193, -9417: 9194, -9416: 9195, -9415: 9196, -9414: 9197, -9413: 9198, -9412: 9199, -9411: 9200, -9410: 9201, -9409: 9202, -9408: 9203, -9407: 9204, -9406: 9205, -9405: 9206, -9404: 9207, -9403: 9208, -9402: 9209, -9401: 9210, -9400: 9211, -9399: 9212, -9398: 9213, -9397: 9214, -9396: 9215, -9395: 9216, -9394: 9217, -9393: 9218, -9392: 9219, -9391: 9220, -9390: 9221, -9389: 9222, -9388: 9223, -9387: 9224, -9386: 9225, -9385: 9226, -9384: 9227, -9383: 9228, -9382: 9229, -9381: 9230, -9380: 9231, -9379: 9232, -9378: 9233, -9377: 9234, -9376: 9235, -9375: 9236, -9374: 9237, -9373: 9238, -9372: 9239, -9371: 9240, -9370: 9241, -9369: 9242, -9368: 9243, -9367: 9244, -9366: 9245, -9365: 9246, -9364: 9247, -9363: 9248, -9362: 9249, -9361: 9250, -9360: 9251, -9359: 9252, -9358: 9253, -9357: 9254, -9356: 9255, -9355: 9256, -9354: 9257, -9353: 9258, -9352: 9259, -9351: 9260, -9350: 9261, -9349: 9262, -9348: 9263, -9347: 9264, -9346: 9265, -9345: 9266, -9344: 9267, -9343: 9268, -9342: 9269, -9341: 9270, -9340: 9271, -9339: 9272, -9338: 9273, -9337: 9274, -9336: 9275, -9335: 9276, -9334: 9277, -9333: 9278, -9332: 9279, -9331: 9280, -9330: 9281, -9329: 9282, -9328: 9283, -9327: 9284, -9326: 9285, -9325: 9286, -9324: 9287, -9323: 9288, -9322: 9289, -9321: 9290, -9320: 9291, -9319: 9292, -9318: 9293, -9317: 9294, -9316: 9295, -9315: 9296, -9314: 9297, -9313: 9298, -9312: 9299, -9311: 9300, -9310: 9301, -9309: 9302, -9308: 9303, -9307: 9304, -9306: 9305, -9305: 9306, -9304: 9307, -9303: 9308, -9302: 9309, -9301: 9310, -9300: 9311, -9299: 9312, -9298: 9313, -9297: 9314, -9296: 9315, -9295: 9316, -9294: 9317, -9293: 9318, -9292: 9319, -9291: 9320, -9290: 9321, -9289: 9322, -9288: 9323, -9287: 9324, -9286: 9325, -9285: 9326, -9284: 9327, -9283: 9328, -9282: 9329, -9281: 9330, -9280: 9331, -9279: 9332, -9278: 9333, -9277: 9334, -9276: 9335, -9275: 9336, -9274: 9337, -9273: 9338, -9272: 9339, -9271: 9340, -9270: 9341, -9269: 9342, -9268: 9343, -9267: 9344, -9266: 9345, -9265: 9346, -9264: 9347, -9263: 9348, -9262: 9349, -9261: 9350, -9260: 9351, -9259: 9352, -9258: 9353, -9257: 9354, -9256: 9355, -9255: 9356, -9254: 9357, -9253: 9358, -9252: 9359, -9251: 9360, -9250: 9361, -9249: 9362, -9248: 9363, -9247: 9364, -9246: 9365, -9245: 9366, -9244: 9367, -9243: 9368, -9242: 9369, -9241: 9370, -9240: 9371, -9239: 9372, -9238: 9373, -9237: 9374, -9236: 9375, -9235: 9376, -9234: 9377, -9233: 9378, -9232: 9379, -9231: 9380, -9230: 9381, -9229: 9382, -9228: 9383, -9227: 9384, -9226: 9385, -9225: 9386, -9224: 9387, -9223: 9388, -9222: 9389, -9221: 9390, -9220: 9391, -9219: 9392, -9218: 9393, -9217: 9394, -9216: 9395, -9215: 9396, -9214: 9397, -9213: 9398, -9212: 9399, -9211: 9400, -9210: 9401, -9209: 9402, -9208: 9403, -9207: 9404, -9206: 9405, -9205: 9406, -9204: 9407, -9203: 9408, -9202: 9409, -9201: 9410, -9200: 9411, -9199: 9412, -9198: 9413, -9197: 9414, -9196: 9415, -9195: 9416, -9194: 9417, -9193: 9418, -9192: 9419, -9191: 9420, -9190: 9421, -9189: 9422, -9188: 9423, -9187: 9424, -9186: 9425, -9185: 9426, -9184: 9427, -9183: 9428, -9182: 9429, -9181: 9430, -9180: 9431, -9179: 9432, -9178: 9433, -9177: 9434, -9176: 9435, -9175: 9436, -9174: 9437, -9173: 9438, -9172: 9439, -9171: 9440, -9170: 9441, -9169: 9442, -9168: 9443, -9167: 9444, -9166: 9445, -9165: 9446, -9164: 9447, -9163: 9448, -9162: 9449, -9161: 9450, -9160: 9451, -9159: 9452, -9158: 9453, -9157: 9454, -9156: 9455, -9155: 9456, -9154: 9457, -9153: 9458, -9152: 9459, -9151: 9460, -9150: 9461, -9149: 9462, -9148: 9463, -9147: 9464, -9146: 9465, -9145: 9466, -9144: 9467, -9143: 9468, -9142: 9469, -9141: 9470, -9140: 9471, -9139: 9472, -9138: 9473, -9137: 9474, -9136: 9475, -9135: 9476, -9134: 9477, -9133: 9478, -9132: 9479, -9131: 9480, -9130: 9481, -9129: 9482, -9128: 9483, -9127: 9484, -9126: 9485, -9125: 9486, -9124: 9487, -9123: 9488, -9122: 9489, -9121: 9490, -9120: 9491, -9119: 9492, -9118: 9493, -9117: 9494, -9116: 9495, -9115: 9496, -9114: 9497, -9113: 9498, -9112: 9499, -9111: 9500, -9110: 9501, -9109: 9502, -9108: 9503, -9107: 9504, -9106: 9505, -9105: 9506, -9104: 9507, -9103: 9508, -9102: 9509, -9101: 9510, -9100: 9511, -9099: 9512, -9098: 9513, -9097: 9514, -9096: 9515, -9095: 9516, -9094: 9517, -9093: 9518, -9092: 9519, -9091: 9520, -9090: 9521, -9089: 9522, -9088: 9523, -9087: 9524, -9086: 9525, -9085: 9526, -9084: 9527, -9083: 9528, -9082: 9529, -9081: 9530, -9080: 9531, -9079: 9532, -9078: 9533, -9077: 9534, -9076: 9535, -9075: 9536, -9074: 9537, -9073: 9538, -9072: 9539, -9071: 9540, -9070: 9541, -9069: 9542, -9068: 9543, -9067: 9544, -9066: 9545, -9065: 9546, -9064: 9547, -9063: 9548, -9062: 9549, -9061: 9550, -9060: 9551, -9059: 9552, -9058: 9553, -9057: 9554, -9056: 9555, -9055: 9556, -9054: 9557, -9053: 9558, -9052: 9559, -9051: 9560, -9050: 9561, -9049: 9562, -9048: 9563, -9047: 9564}
Processed: Zr4 O8
2018-07-24 10:04:06,293 INFO Added a workflow. id_map: {-9637: 9565, -9636: 9566, -9635: 9567, -9634: 9568, -9633: 9569, -9632: 9570, -9631: 9571, -9630: 9572, -9629: 9573, -9628: 9574, -9627: 9575, -9626: 9576, -9625: 9577, -9624: 9578, -9623: 9579, -9622: 9580, -9621: 9581, -9620: 9582, -9619: 9583, -9618: 9584, -9617: 9585, -9616: 9586, -9615: 9587, -9614: 9588, -9613: 9589, -9612: 9590, -9611: 9591, -9610: 9592, -9609: 9593, -9608: 9594, -9607: 9595, -9606: 9596, -9605: 9597, -9604: 9598, -9603: 9599, -9602: 9600, -9601: 9601, -9600: 9602, -9599: 9603, -9598: 9604, -9597: 9605, -9596: 9606, -9595: 9607, -9594: 9608, -9593: 9609, -9592: 9610, -9591: 9611, -9590: 9612, -9589: 9613, -9588: 9614, -9587: 9615, -9586: 9616, -9585: 9617, -9584: 9618, -9583: 9619, -9582: 9620, -9581: 9621, -9580: 9622, -9579: 9623, -9578: 9624, -9577: 9625, -9576: 9626, -9575: 9627, -9574: 9628}
Processed: Nb3 O3
2018-07-24 10:04:57,052 INFO Added a workflow. id_map: {-11306: 9629, -11305: 9630, -11304: 9631, -11303: 9632, -11302: 9633, -11301: 9634, -11300: 9635, -11299: 9636, -11298: 9637, -11297: 9638, -11296: 9639, -11295: 9640, -11294: 9641, -11293: 9642, -11292: 9643, -11291: 9644, -11290: 9645, -11289: 9646, -11288: 9647, -11287: 9648, -11286: 9649, -11285: 9650, -11284: 9651, -11283: 9652, -11282: 9653, -11281: 9654, -11280: 9655, -11279: 9656, -11278: 9657, -11277: 9658, -11276: 9659, -11275: 9660, -11274: 9661, -11273: 9662, -11272: 9663, -11271: 9664, -11270: 9665, -11269: 9666, -11268: 9667, -11267: 9668, -11266: 9669, -11265: 9670, -11264: 9671, -11263: 9672, -11262: 9673, -11261: 9674, -11260: 9675, -11259: 9676, -11258: 9677, -11257: 9678, -11256: 9679, -11255: 9680, -11254: 9681, -11253: 9682, -11252: 9683, -11251: 9684, -11250: 9685, -11249: 9686, -11248: 9687, -11247: 9688, -11246: 9689, -11245: 9690, -11244: 9691, -11243: 9692, -11242: 9693, -11241: 9694, -11240: 9695, 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Processed: Mo4 O8
2018-07-24 10:06:39,853 INFO Added a workflow. id_map: {-14658: 11298, -14657: 11299, -14656: 11300, -14655: 11301, -14654: 11302, -14653: 11303, -14652: 11304, -14651: 11305, -14650: 11306, -14649: 11307, -14648: 11308, -14647: 11309, -14646: 11310, -14645: 11311, -14644: 11312, -14643: 11313, -14642: 11314, -14641: 11315, -14640: 11316, -14639: 11317, -14638: 11318, -14637: 11319, -14636: 11320, -14635: 11321, -14634: 11322, -14633: 11323, -14632: 11324, -14631: 11325, -14630: 11326, -14629: 11327, -14628: 11328, -14627: 11329, -14626: 11330, -14625: 11331, -14624: 11332, -14623: 11333, -14622: 11334, -14621: 11335, -14620: 11336, -14619: 11337, -14618: 11338, -14617: 11339, -14616: 11340, -14615: 11341, -14614: 11342, -14613: 11343, -14612: 11344, -14611: 11345, -14610: 11346, -14609: 11347, -14608: 11348, -14607: 11349, -14606: 11350, -14605: 11351, -14604: 11352, -14603: 11353, -14602: 11354, -14601: 11355, -14600: 11356, -14599: 11357, -14598: 11358, -14597: 11359, -14596: 11360, 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Processed: Tc4 O8
2018-07-24 10:06:49,037 INFO Added a workflow. id_map: {-14992: 14650, -14991: 14651, -14990: 14652, -14989: 14653, -14988: 14654, -14987: 14655, -14986: 14656, -14985: 14657, -14984: 14658, -14983: 14659, -14982: 14660, -14981: 14661, -14980: 14662, -14979: 14663, -14978: 14664, -14977: 14665, -14976: 14666, -14975: 14667, -14974: 14668, -14973: 14669, -14972: 14670, -14971: 14671, -14970: 14672, -14969: 14673, -14968: 14674, -14967: 14675, -14966: 14676, -14965: 14677, -14964: 14678, -14963: 14679, -14962: 14680, -14961: 14681, -14960: 14682, -14959: 14683, -14958: 14684, -14957: 14685, -14956: 14686, -14955: 14687, -14954: 14688, -14953: 14689, -14952: 14690, -14951: 14691, -14950: 14692, -14949: 14693, -14948: 14694, -14947: 14695, -14946: 14696, -14945: 14697, -14944: 14698, -14943: 14699, -14942: 14700, -14941: 14701, -14940: 14702, -14939: 14703, -14938: 14704, -14937: 14705, -14936: 14706, -14935: 14707, -14934: 14708, -14933: 14709, -14932: 14710, -14931: 14711, -14930: 14712, 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-14796: 14846, -14795: 14847, -14794: 14848, -14793: 14849, -14792: 14850, -14791: 14851, -14790: 14852, -14789: 14853, -14788: 14854, -14787: 14855, -14786: 14856, -14785: 14857, -14784: 14858, -14783: 14859, -14782: 14860, -14781: 14861, -14780: 14862, -14779: 14863, -14778: 14864, -14777: 14865, -14776: 14866, -14775: 14867, -14774: 14868, -14773: 14869, -14772: 14870, -14771: 14871, -14770: 14872, -14769: 14873, -14768: 14874, -14767: 14875, -14766: 14876, -14765: 14877, -14764: 14878, -14763: 14879, -14762: 14880, -14761: 14881, -14760: 14882, -14759: 14883, -14758: 14884, -14757: 14885, -14756: 14886, -14755: 14887, -14754: 14888, -14753: 14889, -14752: 14890, -14751: 14891, -14750: 14892, -14749: 14893, -14748: 14894, -14747: 14895, -14746: 14896, -14745: 14897, -14744: 14898, -14743: 14899, -14742: 14900, -14741: 14901, -14740: 14902, -14739: 14903, -14738: 14904, -14737: 14905, -14736: 14906, -14735: 14907, -14734: 14908, -14733: 14909, -14732: 14910, -14731: 14911, -14730: 14912, -14729: 14913, -14728: 14914, -14727: 14915, -14726: 14916, -14725: 14917, -14724: 14918, -14723: 14919, -14722: 14920, -14721: 14921, -14720: 14922, -14719: 14923, -14718: 14924, -14717: 14925, -14716: 14926, -14715: 14927, -14714: 14928, -14713: 14929, -14712: 14930, -14711: 14931, -14710: 14932, -14709: 14933, -14708: 14934, -14707: 14935, -14706: 14936, -14705: 14937, -14704: 14938, -14703: 14939, -14702: 14940, -14701: 14941, -14700: 14942, -14699: 14943, -14698: 14944, -14697: 14945, -14696: 14946, -14695: 14947, -14694: 14948, -14693: 14949, -14692: 14950, -14691: 14951, -14690: 14952, -14689: 14953, -14688: 14954, -14687: 14955, -14686: 14956, -14685: 14957, -14684: 14958, -14683: 14959, -14682: 14960, -14681: 14961, -14680: 14962, -14679: 14963, -14678: 14964, -14677: 14965, -14676: 14966, -14675: 14967, -14674: 14968, -14673: 14969, -14672: 14970, -14671: 14971, -14670: 14972, -14669: 14973, -14668: 14974, -14667: 14975, -14666: 14976, -14665: 14977, -14664: 14978, -14663: 14979, -14662: 14980, -14661: 14981, -14660: 14982, -14659: 14983}
Processed: Ru2 O4
2018-07-24 10:06:57,212 INFO Added a workflow. id_map: {-15305: 14984, -15304: 14985, -15303: 14986, -15302: 14987, -15301: 14988, -15300: 14989, -15299: 14990, -15298: 14991, -15297: 14992, -15296: 14993, -15295: 14994, -15294: 14995, -15293: 14996, -15292: 14997, -15291: 14998, -15290: 14999, -15289: 15000, -15288: 15001, -15287: 15002, -15286: 15003, -15285: 15004, -15284: 15005, -15283: 15006, -15282: 15007, -15281: 15008, -15280: 15009, -15279: 15010, -15278: 15011, -15277: 15012, -15276: 15013, -15275: 15014, -15274: 15015, -15273: 15016, -15272: 15017, -15271: 15018, -15270: 15019, -15269: 15020, -15268: 15021, -15267: 15022, -15266: 15023, -15265: 15024, -15264: 15025, -15263: 15026, -15262: 15027, -15261: 15028, -15260: 15029, -15259: 15030, -15258: 15031, -15257: 15032, -15256: 15033, -15255: 15034, -15254: 15035, -15253: 15036, -15252: 15037, -15251: 15038, -15250: 15039, -15249: 15040, -15248: 15041, -15247: 15042, -15246: 15043, -15245: 15044, -15244: 15045, -15243: 15046, -15242: 15047, -15241: 15048, -15240: 15049, -15239: 15050, -15238: 15051, -15237: 15052, -15236: 15053, -15235: 15054, -15234: 15055, -15233: 15056, -15232: 15057, -15231: 15058, -15230: 15059, -15229: 15060, -15228: 15061, -15227: 15062, -15226: 15063, -15225: 15064, -15224: 15065, -15223: 15066, -15222: 15067, -15221: 15068, -15220: 15069, -15219: 15070, -15218: 15071, -15217: 15072, -15216: 15073, -15215: 15074, -15214: 15075, -15213: 15076, -15212: 15077, -15211: 15078, -15210: 15079, -15209: 15080, -15208: 15081, -15207: 15082, -15206: 15083, -15205: 15084, -15204: 15085, -15203: 15086, -15202: 15087, -15201: 15088, -15200: 15089, -15199: 15090, -15198: 15091, -15197: 15092, -15196: 15093, -15195: 15094, -15194: 15095, -15193: 15096, -15192: 15097, -15191: 15098, -15190: 15099, -15189: 15100, -15188: 15101, -15187: 15102, -15186: 15103, -15185: 15104, -15184: 15105, -15183: 15106, -15182: 15107, -15181: 15108, -15180: 15109, -15179: 15110, -15178: 15111, -15177: 15112, -15176: 15113, -15175: 15114, -15174: 15115, -15173: 15116, -15172: 15117, -15171: 15118, -15170: 15119, -15169: 15120, -15168: 15121, -15167: 15122, -15166: 15123, -15165: 15124, -15164: 15125, -15163: 15126, -15162: 15127, -15161: 15128, -15160: 15129, -15159: 15130, -15158: 15131, -15157: 15132, -15156: 15133, -15155: 15134, -15154: 15135, -15153: 15136, -15152: 15137, -15151: 15138, -15150: 15139, -15149: 15140, -15148: 15141, -15147: 15142, -15146: 15143, -15145: 15144, -15144: 15145, -15143: 15146, -15142: 15147, -15141: 15148, -15140: 15149, -15139: 15150, -15138: 15151, -15137: 15152, -15136: 15153, -15135: 15154, -15134: 15155, -15133: 15156, -15132: 15157, -15131: 15158, -15130: 15159, -15129: 15160, -15128: 15161, -15127: 15162, -15126: 15163, -15125: 15164, -15124: 15165, -15123: 15166, -15122: 15167, -15121: 15168, -15120: 15169, -15119: 15170, -15118: 15171, -15117: 15172, -15116: 15173, -15115: 15174, -15114: 15175, -15113: 15176, -15112: 15177, -15111: 15178, -15110: 15179, -15109: 15180, -15108: 15181, -15107: 15182, -15106: 15183, -15105: 15184, -15104: 15185, -15103: 15186, -15102: 15187, -15101: 15188, -15100: 15189, -15099: 15190, -15098: 15191, -15097: 15192, -15096: 15193, -15095: 15194, -15094: 15195, -15093: 15196, -15092: 15197, -15091: 15198, -15090: 15199, -15089: 15200, -15088: 15201, -15087: 15202, -15086: 15203, -15085: 15204, -15084: 15205, -15083: 15206, -15082: 15207, -15081: 15208, -15080: 15209, -15079: 15210, -15078: 15211, -15077: 15212, -15076: 15213, -15075: 15214, -15074: 15215, -15073: 15216, -15072: 15217, -15071: 15218, -15070: 15219, -15069: 15220, -15068: 15221, -15067: 15222, -15066: 15223, -15065: 15224, -15064: 15225, -15063: 15226, -15062: 15227, -15061: 15228, -15060: 15229, -15059: 15230, -15058: 15231, -15057: 15232, -15056: 15233, -15055: 15234, -15054: 15235, -15053: 15236, -15052: 15237, -15051: 15238, -15050: 15239, -15049: 15240, -15048: 15241, -15047: 15242, -15046: 15243, -15045: 15244, -15044: 15245, -15043: 15246, -15042: 15247, -15041: 15248, -15040: 15249, -15039: 15250, -15038: 15251, -15037: 15252, -15036: 15253, -15035: 15254, -15034: 15255, -15033: 15256, -15032: 15257, -15031: 15258, -15030: 15259, -15029: 15260, -15028: 15261, -15027: 15262, -15026: 15263, -15025: 15264, -15024: 15265, -15023: 15266, -15022: 15267, -15021: 15268, -15020: 15269, -15019: 15270, -15018: 15271, -15017: 15272, -15016: 15273, -15015: 15274, -15014: 15275, -15013: 15276, -15012: 15277, -15011: 15278, -15010: 15279, -15009: 15280, -15008: 15281, -15007: 15282, -15006: 15283, -15005: 15284, -15004: 15285, -15003: 15286, -15002: 15287, -15001: 15288, -15000: 15289, -14999: 15290, -14998: 15291, -14997: 15292, -14996: 15293, -14995: 15294, -14994: 15295, -14993: 15296}
Processed: Rh2 O4
2018-07-24 10:07:00,584 INFO Added a workflow. id_map: {-15462: 15297, -15461: 15298, -15460: 15299, -15459: 15300, -15458: 15301, -15457: 15302, -15456: 15303, -15455: 15304, -15454: 15305, -15453: 15306, -15452: 15307, -15451: 15308, -15450: 15309, -15449: 15310, -15448: 15311, -15447: 15312, -15446: 15313, -15445: 15314, -15444: 15315, -15443: 15316, -15442: 15317, -15441: 15318, -15440: 15319, -15439: 15320, -15438: 15321, -15437: 15322, -15436: 15323, -15435: 15324, -15434: 15325, -15433: 15326, -15432: 15327, -15431: 15328, -15430: 15329, -15429: 15330, -15428: 15331, -15427: 15332, -15426: 15333, -15425: 15334, -15424: 15335, -15423: 15336, -15422: 15337, -15421: 15338, -15420: 15339, -15419: 15340, -15418: 15341, -15417: 15342, -15416: 15343, -15415: 15344, -15414: 15345, -15413: 15346, -15412: 15347, -15411: 15348, -15410: 15349, -15409: 15350, -15408: 15351, -15407: 15352, -15406: 15353, -15405: 15354, -15404: 15355, -15403: 15356, -15402: 15357, -15401: 15358, -15400: 15359, -15399: 15360, -15398: 15361, -15397: 15362, -15396: 15363, -15395: 15364, -15394: 15365, -15393: 15366, -15392: 15367, -15391: 15368, -15390: 15369, -15389: 15370, -15388: 15371, -15387: 15372, -15386: 15373, -15385: 15374, -15384: 15375, -15383: 15376, -15382: 15377, -15381: 15378, -15380: 15379, -15379: 15380, -15378: 15381, -15377: 15382, -15376: 15383, -15375: 15384, -15374: 15385, -15373: 15386, -15372: 15387, -15371: 15388, -15370: 15389, -15369: 15390, -15368: 15391, -15367: 15392, -15366: 15393, -15365: 15394, -15364: 15395, -15363: 15396, -15362: 15397, -15361: 15398, -15360: 15399, -15359: 15400, -15358: 15401, -15357: 15402, -15356: 15403, -15355: 15404, -15354: 15405, -15353: 15406, -15352: 15407, -15351: 15408, -15350: 15409, -15349: 15410, -15348: 15411, -15347: 15412, -15346: 15413, -15345: 15414, -15344: 15415, -15343: 15416, -15342: 15417, -15341: 15418, -15340: 15419, -15339: 15420, -15338: 15421, -15337: 15422, -15336: 15423, -15335: 15424, -15334: 15425, -15333: 15426, -15332: 15427, -15331: 15428, -15330: 15429, -15329: 15430, -15328: 15431, -15327: 15432, -15326: 15433, -15325: 15434, -15324: 15435, -15323: 15436, -15322: 15437, -15321: 15438, -15320: 15439, -15319: 15440, -15318: 15441, -15317: 15442, -15316: 15443, -15315: 15444, -15314: 15445, -15313: 15446, -15312: 15447, -15311: 15448, -15310: 15449, -15309: 15450, -15308: 15451, -15307: 15452, -15306: 15453}
Processed: Pd2 O2
2018-07-24 10:07:08,578 INFO Added a workflow. id_map: {-15780: 15454, -15779: 15455, -15778: 15456, -15777: 15457, -15776: 15458, -15775: 15459, -15774: 15460, -15773: 15461, -15772: 15462, -15771: 15463, -15770: 15464, -15769: 15465, -15768: 15466, -15767: 15467, -15766: 15468, -15765: 15469, -15764: 15470, -15763: 15471, -15762: 15472, -15761: 15473, -15760: 15474, -15759: 15475, -15758: 15476, -15757: 15477, -15756: 15478, -15755: 15479, -15754: 15480, -15753: 15481, -15752: 15482, -15751: 15483, -15750: 15484, -15749: 15485, -15748: 15486, -15747: 15487, -15746: 15488, -15745: 15489, -15744: 15490, -15743: 15491, -15742: 15492, -15741: 15493, -15740: 15494, -15739: 15495, -15738: 15496, -15737: 15497, -15736: 15498, -15735: 15499, -15734: 15500, -15733: 15501, -15732: 15502, -15731: 15503, -15730: 15504, -15729: 15505, -15728: 15506, -15727: 15507, -15726: 15508, -15725: 15509, -15724: 15510, -15723: 15511, -15722: 15512, -15721: 15513, -15720: 15514, -15719: 15515, -15718: 15516, -15717: 15517, -15716: 15518, -15715: 15519, -15714: 15520, -15713: 15521, -15712: 15522, -15711: 15523, -15710: 15524, -15709: 15525, -15708: 15526, -15707: 15527, -15706: 15528, -15705: 15529, -15704: 15530, -15703: 15531, -15702: 15532, -15701: 15533, -15700: 15534, -15699: 15535, -15698: 15536, -15697: 15537, -15696: 15538, -15695: 15539, -15694: 15540, -15693: 15541, -15692: 15542, -15691: 15543, -15690: 15544, -15689: 15545, -15688: 15546, -15687: 15547, -15686: 15548, -15685: 15549, -15684: 15550, -15683: 15551, -15682: 15552, -15681: 15553, -15680: 15554, -15679: 15555, -15678: 15556, -15677: 15557, -15676: 15558, -15675: 15559, -15674: 15560, -15673: 15561, -15672: 15562, -15671: 15563, -15670: 15564, -15669: 15565, -15668: 15566, -15667: 15567, -15666: 15568, -15665: 15569, -15664: 15570, -15663: 15571, -15662: 15572, -15661: 15573, -15660: 15574, -15659: 15575, -15658: 15576, -15657: 15577, -15656: 15578, -15655: 15579, -15654: 15580, -15653: 15581, -15652: 15582, -15651: 15583, -15650: 15584, -15649: 15585, -15648: 15586, -15647: 15587, -15646: 15588, -15645: 15589, -15644: 15590, -15643: 15591, -15642: 15592, -15641: 15593, -15640: 15594, -15639: 15595, -15638: 15596, -15637: 15597, -15636: 15598, -15635: 15599, -15634: 15600, -15633: 15601, -15632: 15602, -15631: 15603, -15630: 15604, -15629: 15605, -15628: 15606, -15627: 15607, -15626: 15608, -15625: 15609, -15624: 15610, -15623: 15611, -15622: 15612, -15621: 15613, -15620: 15614, -15619: 15615, -15618: 15616, -15617: 15617, -15616: 15618, -15615: 15619, -15614: 15620, -15613: 15621, -15612: 15622, -15611: 15623, -15610: 15624, -15609: 15625, -15608: 15626, -15607: 15627, -15606: 15628, -15605: 15629, -15604: 15630, -15603: 15631, -15602: 15632, -15601: 15633, -15600: 15634, -15599: 15635, -15598: 15636, -15597: 15637, -15596: 15638, -15595: 15639, -15594: 15640, -15593: 15641, -15592: 15642, -15591: 15643, -15590: 15644, -15589: 15645, -15588: 15646, -15587: 15647, -15586: 15648, -15585: 15649, -15584: 15650, -15583: 15651, -15582: 15652, -15581: 15653, -15580: 15654, -15579: 15655, -15578: 15656, -15577: 15657, -15576: 15658, -15575: 15659, -15574: 15660, -15573: 15661, -15572: 15662, -15571: 15663, -15570: 15664, -15569: 15665, -15568: 15666, -15567: 15667, -15566: 15668, -15565: 15669, -15564: 15670, -15563: 15671, -15562: 15672, -15561: 15673, -15560: 15674, -15559: 15675, -15558: 15676, -15557: 15677, -15556: 15678, -15555: 15679, -15554: 15680, -15553: 15681, -15552: 15682, -15551: 15683, -15550: 15684, -15549: 15685, -15548: 15686, -15547: 15687, -15546: 15688, -15545: 15689, -15544: 15690, -15543: 15691, -15542: 15692, -15541: 15693, -15540: 15694, -15539: 15695, -15538: 15696, -15537: 15697, -15536: 15698, -15535: 15699, -15534: 15700, -15533: 15701, -15532: 15702, -15531: 15703, -15530: 15704, -15529: 15705, -15528: 15706, -15527: 15707, -15526: 15708, -15525: 15709, -15524: 15710, -15523: 15711, -15522: 15712, -15521: 15713, -15520: 15714, -15519: 15715, -15518: 15716, -15517: 15717, -15516: 15718, -15515: 15719, -15514: 15720, -15513: 15721, -15512: 15722, -15511: 15723, -15510: 15724, -15509: 15725, -15508: 15726, -15507: 15727, -15506: 15728, -15505: 15729, -15504: 15730, -15503: 15731, -15502: 15732, -15501: 15733, -15500: 15734, -15499: 15735, -15498: 15736, -15497: 15737, -15496: 15738, -15495: 15739, -15494: 15740, -15493: 15741, -15492: 15742, -15491: 15743, -15490: 15744, -15489: 15745, -15488: 15746, -15487: 15747, -15486: 15748, -15485: 15749, -15484: 15750, -15483: 15751, -15482: 15752, -15481: 15753, -15480: 15754, -15479: 15755, -15478: 15756, -15477: 15757, -15476: 15758, -15475: 15759, -15474: 15760, -15473: 15761, -15472: 15762, -15471: 15763, -15470: 15764, -15469: 15765, -15468: 15766, -15467: 15767, -15466: 15768, -15465: 15769, -15464: 15770, -15463: 15771}
Processed: Ag4 O4
2018-07-24 10:07:10,075 INFO Added a workflow. id_map: {-15826: 15772, -15825: 15773, -15824: 15774, -15823: 15775, -15822: 15776, -15821: 15777, -15820: 15778, -15819: 15779, -15818: 15780, -15817: 15781, -15816: 15782, -15815: 15783, -15814: 15784, -15813: 15785, -15812: 15786, -15811: 15787, -15810: 15788, -15809: 15789, -15808: 15790, -15807: 15791, -15806: 15792, -15805: 15793, -15804: 15794, -15803: 15795, -15802: 15796, -15801: 15797, -15800: 15798, -15799: 15799, -15798: 15800, -15797: 15801, -15796: 15802, -15795: 15803, -15794: 15804, -15793: 15805, -15792: 15806, -15791: 15807, -15790: 15808, -15789: 15809, -15788: 15810, -15787: 15811, -15786: 15812, -15785: 15813, -15784: 15814, -15783: 15815, -15782: 15816, -15781: 15817}
Processed: Cd4 O4
2018-07-24 10:07:18,950 INFO Added a workflow. id_map: {-16271: 15818, -16270: 15819, -16269: 15820, -16268: 15821, -16267: 15822, -16266: 15823, -16265: 15824, -16264: 15825, -16263: 15826, -16262: 15827, -16261: 15828, -16260: 15829, -16259: 15830, -16258: 15831, -16257: 15832, -16256: 15833, -16255: 15834, -16254: 15835, -16253: 15836, -16252: 15837, -16251: 15838, -16250: 15839, -16249: 15840, -16248: 15841, -16247: 15842, -16246: 15843, -16245: 15844, -16244: 15845, -16243: 15846, -16242: 15847, -16241: 15848, -16240: 15849, -16239: 15850, -16238: 15851, -16237: 15852, -16236: 15853, -16235: 15854, -16234: 15855, -16233: 15856, -16232: 15857, -16231: 15858, -16230: 15859, -16229: 15860, -16228: 15861, -16227: 15862, -16226: 15863, -16225: 15864, -16224: 15865, -16223: 15866, -16222: 15867, -16221: 15868, -16220: 15869, -16219: 15870, -16218: 15871, -16217: 15872, -16216: 15873, -16215: 15874, -16214: 15875, -16213: 15876, -16212: 15877, -16211: 15878, -16210: 15879, -16209: 15880, -16208: 15881, -16207: 15882, -16206: 15883, -16205: 15884, -16204: 15885, -16203: 15886, -16202: 15887, -16201: 15888, -16200: 15889, -16199: 15890, -16198: 15891, -16197: 15892, -16196: 15893, -16195: 15894, -16194: 15895, -16193: 15896, -16192: 15897, -16191: 15898, -16190: 15899, -16189: 15900, -16188: 15901, -16187: 15902, -16186: 15903, -16185: 15904, -16184: 15905, -16183: 15906, -16182: 15907, -16181: 15908, -16180: 15909, -16179: 15910, -16178: 15911, -16177: 15912, -16176: 15913, -16175: 15914, -16174: 15915, -16173: 15916, -16172: 15917, -16171: 15918, -16170: 15919, -16169: 15920, -16168: 15921, -16167: 15922, -16166: 15923, -16165: 15924, -16164: 15925, -16163: 15926, -16162: 15927, -16161: 15928, -16160: 15929, -16159: 15930, -16158: 15931, -16157: 15932, -16156: 15933, -16155: 15934, -16154: 15935, -16153: 15936, -16152: 15937, -16151: 15938, -16150: 15939, -16149: 15940, -16148: 15941, -16147: 15942, -16146: 15943, -16145: 15944, -16144: 15945, -16143: 15946, -16142: 15947, -16141: 15948, -16140: 15949, -16139: 15950, -16138: 15951, -16137: 15952, -16136: 15953, -16135: 15954, -16134: 15955, -16133: 15956, -16132: 15957, -16131: 15958, -16130: 15959, -16129: 15960, -16128: 15961, -16127: 15962, -16126: 15963, -16125: 15964, -16124: 15965, -16123: 15966, -16122: 15967, -16121: 15968, -16120: 15969, -16119: 15970, -16118: 15971, -16117: 15972, -16116: 15973, -16115: 15974, -16114: 15975, -16113: 15976, -16112: 15977, -16111: 15978, -16110: 15979, -16109: 15980, -16108: 15981, -16107: 15982, -16106: 15983, -16105: 15984, -16104: 15985, -16103: 15986, -16102: 15987, -16101: 15988, -16100: 15989, -16099: 15990, -16098: 15991, -16097: 15992, -16096: 15993, -16095: 15994, -16094: 15995, -16093: 15996, -16092: 15997, -16091: 15998, -16090: 15999, -16089: 16000, -16088: 16001, -16087: 16002, -16086: 16003, -16085: 16004, -16084: 16005, -16083: 16006, -16082: 16007, -16081: 16008, -16080: 16009, -16079: 16010, -16078: 16011, -16077: 16012, -16076: 16013, -16075: 16014, -16074: 16015, -16073: 16016, -16072: 16017, -16071: 16018, -16070: 16019, -16069: 16020, -16068: 16021, -16067: 16022, -16066: 16023, -16065: 16024, -16064: 16025, -16063: 16026, -16062: 16027, -16061: 16028, -16060: 16029, -16059: 16030, -16058: 16031, -16057: 16032, -16056: 16033, -16055: 16034, -16054: 16035, -16053: 16036, -16052: 16037, -16051: 16038, -16050: 16039, -16049: 16040, -16048: 16041, -16047: 16042, -16046: 16043, -16045: 16044, -16044: 16045, -16043: 16046, -16042: 16047, -16041: 16048, -16040: 16049, -16039: 16050, -16038: 16051, -16037: 16052, -16036: 16053, -16035: 16054, -16034: 16055, -16033: 16056, -16032: 16057, -16031: 16058, -16030: 16059, -16029: 16060, -16028: 16061, -16027: 16062, -16026: 16063, -16025: 16064, -16024: 16065, -16023: 16066, -16022: 16067, -16021: 16068, -16020: 16069, -16019: 16070, -16018: 16071, -16017: 16072, -16016: 16073, -16015: 16074, -16014: 16075, -16013: 16076, -16012: 16077, -16011: 16078, -16010: 16079, -16009: 16080, -16008: 16081, -16007: 16082, -16006: 16083, -16005: 16084, -16004: 16085, -16003: 16086, -16002: 16087, -16001: 16088, -16000: 16089, -15999: 16090, -15998: 16091, -15997: 16092, -15996: 16093, -15995: 16094, -15994: 16095, -15993: 16096, -15992: 16097, -15991: 16098, -15990: 16099, -15989: 16100, -15988: 16101, -15987: 16102, -15986: 16103, -15985: 16104, -15984: 16105, -15983: 16106, -15982: 16107, -15981: 16108, -15980: 16109, -15979: 16110, -15978: 16111, -15977: 16112, -15976: 16113, -15975: 16114, -15974: 16115, -15973: 16116, -15972: 16117, -15971: 16118, -15970: 16119, -15969: 16120, -15968: 16121, -15967: 16122, -15966: 16123, -15965: 16124, -15964: 16125, -15963: 16126, -15962: 16127, -15961: 16128, -15960: 16129, -15959: 16130, -15958: 16131, -15957: 16132, -15956: 16133, -15955: 16134, -15954: 16135, -15953: 16136, -15952: 16137, -15951: 16138, -15950: 16139, -15949: 16140, -15948: 16141, -15947: 16142, -15946: 16143, -15945: 16144, -15944: 16145, -15943: 16146, -15942: 16147, -15941: 16148, -15940: 16149, -15939: 16150, -15938: 16151, -15937: 16152, -15936: 16153, -15935: 16154, -15934: 16155, -15933: 16156, -15932: 16157, -15931: 16158, -15930: 16159, -15929: 16160, -15928: 16161, -15927: 16162, -15926: 16163, -15925: 16164, -15924: 16165, -15923: 16166, -15922: 16167, -15921: 16168, -15920: 16169, -15919: 16170, -15918: 16171, -15917: 16172, -15916: 16173, -15915: 16174, -15914: 16175, -15913: 16176, -15912: 16177, -15911: 16178, -15910: 16179, -15909: 16180, -15908: 16181, -15907: 16182, -15906: 16183, -15905: 16184, -15904: 16185, -15903: 16186, -15902: 16187, -15901: 16188, -15900: 16189, -15899: 16190, -15898: 16191, -15897: 16192, -15896: 16193, -15895: 16194, -15894: 16195, -15893: 16196, -15892: 16197, -15891: 16198, -15890: 16199, -15889: 16200, -15888: 16201, -15887: 16202, -15886: 16203, -15885: 16204, -15884: 16205, -15883: 16206, -15882: 16207, -15881: 16208, -15880: 16209, -15879: 16210, -15878: 16211, -15877: 16212, -15876: 16213, -15875: 16214, -15874: 16215, -15873: 16216, -15872: 16217, -15871: 16218, -15870: 16219, -15869: 16220, -15868: 16221, -15867: 16222, -15866: 16223, -15865: 16224, -15864: 16225, -15863: 16226, -15862: 16227, -15861: 16228, -15860: 16229, -15859: 16230, -15858: 16231, -15857: 16232, -15856: 16233, -15855: 16234, -15854: 16235, -15853: 16236, -15852: 16237, -15851: 16238, -15850: 16239, -15849: 16240, -15848: 16241, -15847: 16242, -15846: 16243, -15845: 16244, -15844: 16245, -15843: 16246, -15842: 16247, -15841: 16248, -15840: 16249, -15839: 16250, -15838: 16251, -15837: 16252, -15836: 16253, -15835: 16254, -15834: 16255, -15833: 16256, -15832: 16257, -15831: 16258, -15830: 16259, -15829: 16260, -15828: 16261, -15827: 16262}
Processed: La2 O3
2018-07-24 10:07:25,044 INFO Added a workflow. id_map: {-16497: 16263, -16496: 16264, -16495: 16265, -16494: 16266, -16493: 16267, -16492: 16268, -16491: 16269, -16490: 16270, -16489: 16271, -16488: 16272, -16487: 16273, -16486: 16274, -16485: 16275, -16484: 16276, -16483: 16277, -16482: 16278, -16481: 16279, -16480: 16280, -16479: 16281, -16478: 16282, -16477: 16283, -16476: 16284, -16475: 16285, -16474: 16286, -16473: 16287, -16472: 16288, -16471: 16289, -16470: 16290, -16469: 16291, -16468: 16292, -16467: 16293, -16466: 16294, -16465: 16295, -16464: 16296, -16463: 16297, -16462: 16298, -16461: 16299, -16460: 16300, -16459: 16301, -16458: 16302, -16457: 16303, -16456: 16304, -16455: 16305, -16454: 16306, -16453: 16307, -16452: 16308, -16451: 16309, -16450: 16310, -16449: 16311, -16448: 16312, -16447: 16313, -16446: 16314, -16445: 16315, -16444: 16316, -16443: 16317, -16442: 16318, -16441: 16319, -16440: 16320, -16439: 16321, -16438: 16322, -16437: 16323, -16436: 16324, -16435: 16325, -16434: 16326, -16433: 16327, -16432: 16328, -16431: 16329, -16430: 16330, -16429: 16331, -16428: 16332, -16427: 16333, -16426: 16334, -16425: 16335, -16424: 16336, -16423: 16337, -16422: 16338, -16421: 16339, -16420: 16340, -16419: 16341, -16418: 16342, -16417: 16343, -16416: 16344, -16415: 16345, -16414: 16346, -16413: 16347, -16412: 16348, -16411: 16349, -16410: 16350, -16409: 16351, -16408: 16352, -16407: 16353, -16406: 16354, -16405: 16355, -16404: 16356, -16403: 16357, -16402: 16358, -16401: 16359, -16400: 16360, -16399: 16361, -16398: 16362, -16397: 16363, -16396: 16364, -16395: 16365, -16394: 16366, -16393: 16367, -16392: 16368, -16391: 16369, -16390: 16370, -16389: 16371, -16388: 16372, -16387: 16373, -16386: 16374, -16385: 16375, -16384: 16376, -16383: 16377, -16382: 16378, -16381: 16379, -16380: 16380, -16379: 16381, -16378: 16382, -16377: 16383, -16376: 16384, -16375: 16385, -16374: 16386, -16373: 16387, -16372: 16388, -16371: 16389, -16370: 16390, -16369: 16391, -16368: 16392, -16367: 16393, -16366: 16394, -16365: 16395, -16364: 16396, -16363: 16397, -16362: 16398, -16361: 16399, -16360: 16400, -16359: 16401, -16358: 16402, -16357: 16403, -16356: 16404, -16355: 16405, -16354: 16406, -16353: 16407, -16352: 16408, -16351: 16409, -16350: 16410, -16349: 16411, -16348: 16412, -16347: 16413, -16346: 16414, -16345: 16415, -16344: 16416, -16343: 16417, -16342: 16418, -16341: 16419, -16340: 16420, -16339: 16421, -16338: 16422, -16337: 16423, -16336: 16424, -16335: 16425, -16334: 16426, -16333: 16427, -16332: 16428, -16331: 16429, -16330: 16430, -16329: 16431, -16328: 16432, -16327: 16433, -16326: 16434, -16325: 16435, -16324: 16436, -16323: 16437, -16322: 16438, -16321: 16439, -16320: 16440, -16319: 16441, -16318: 16442, -16317: 16443, -16316: 16444, -16315: 16445, -16314: 16446, -16313: 16447, -16312: 16448, -16311: 16449, -16310: 16450, -16309: 16451, -16308: 16452, -16307: 16453, -16306: 16454, -16305: 16455, -16304: 16456, -16303: 16457, -16302: 16458, -16301: 16459, -16300: 16460, -16299: 16461, -16298: 16462, -16297: 16463, -16296: 16464, -16295: 16465, -16294: 16466, -16293: 16467, -16292: 16468, -16291: 16469, -16290: 16470, -16289: 16471, -16288: 16472, -16287: 16473, -16286: 16474, -16285: 16475, -16284: 16476, -16283: 16477, -16282: 16478, -16281: 16479, -16280: 16480, -16279: 16481, -16278: 16482, -16277: 16483, -16276: 16484, -16275: 16485, -16274: 16486, -16273: 16487, -16272: 16488}
Processed: Hf2 O4
2018-07-24 10:08:49,826 INFO Added a workflow. id_map: {-19188: 16489, -19187: 16490, -19186: 16491, -19185: 16492, -19184: 16493, -19183: 16494, -19182: 16495, -19181: 16496, -19180: 16497, -19179: 16498, -19178: 16499, -19177: 16500, -19176: 16501, -19175: 16502, -19174: 16503, -19173: 16504, -19172: 16505, -19171: 16506, -19170: 16507, -19169: 16508, -19168: 16509, -19167: 16510, -19166: 16511, -19165: 16512, -19164: 16513, -19163: 16514, -19162: 16515, -19161: 16516, -19160: 16517, -19159: 16518, -19158: 16519, -19157: 16520, -19156: 16521, -19155: 16522, -19154: 16523, -19153: 16524, -19152: 16525, -19151: 16526, -19150: 16527, -19149: 16528, -19148: 16529, -19147: 16530, -19146: 16531, -19145: 16532, -19144: 16533, -19143: 16534, -19142: 16535, -19141: 16536, -19140: 16537, -19139: 16538, -19138: 16539, -19137: 16540, -19136: 16541, -19135: 16542, -19134: 16543, -19133: 16544, -19132: 16545, -19131: 16546, -19130: 16547, -19129: 16548, -19128: 16549, -19127: 16550, -19126: 16551, -19125: 16552, -19124: 16553, -19123: 16554, -19122: 16555, -19121: 16556, -19120: 16557, -19119: 16558, -19118: 16559, -19117: 16560, -19116: 16561, -19115: 16562, -19114: 16563, -19113: 16564, -19112: 16565, -19111: 16566, -19110: 16567, -19109: 16568, -19108: 16569, -19107: 16570, -19106: 16571, -19105: 16572, -19104: 16573, -19103: 16574, -19102: 16575, -19101: 16576, -19100: 16577, -19099: 16578, -19098: 16579, -19097: 16580, -19096: 16581, -19095: 16582, -19094: 16583, -19093: 16584, -19092: 16585, -19091: 16586, -19090: 16587, -19089: 16588, -19088: 16589, -19087: 16590, -19086: 16591, -19085: 16592, -19084: 16593, -19083: 16594, -19082: 16595, -19081: 16596, -19080: 16597, -19079: 16598, -19078: 16599, -19077: 16600, -19076: 16601, -19075: 16602, -19074: 16603, -19073: 16604, -19072: 16605, -19071: 16606, -19070: 16607, -19069: 16608, -19068: 16609, -19067: 16610, -19066: 16611, -19065: 16612, -19064: 16613, -19063: 16614, -19062: 16615, -19061: 16616, -19060: 16617, -19059: 16618, -19058: 16619, -19057: 16620, -19056: 16621, -19055: 16622, -19054: 16623, -19053: 16624, -19052: 16625, -19051: 16626, -19050: 16627, -19049: 16628, -19048: 16629, -19047: 16630, -19046: 16631, -19045: 16632, -19044: 16633, -19043: 16634, -19042: 16635, -19041: 16636, -19040: 16637, -19039: 16638, -19038: 16639, -19037: 16640, -19036: 16641, -19035: 16642, -19034: 16643, -19033: 16644, -19032: 16645, -19031: 16646, -19030: 16647, -19029: 16648, -19028: 16649, -19027: 16650, -19026: 16651, -19025: 16652, -19024: 16653, -19023: 16654, -19022: 16655, -19021: 16656, -19020: 16657, -19019: 16658, -19018: 16659, -19017: 16660, -19016: 16661, -19015: 16662, -19014: 16663, -19013: 16664, -19012: 16665, -19011: 16666, -19010: 16667, -19009: 16668, -19008: 16669, -19007: 16670, -19006: 16671, -19005: 16672, -19004: 16673, -19003: 16674, -19002: 16675, -19001: 16676, -19000: 16677, -18999: 16678, -18998: 16679, -18997: 16680, -18996: 16681, -18995: 16682, -18994: 16683, -18993: 16684, -18992: 16685, -18991: 16686, -18990: 16687, -18989: 16688, -18988: 16689, -18987: 16690, -18986: 16691, -18985: 16692, -18984: 16693, -18983: 16694, -18982: 16695, -18981: 16696, -18980: 16697, -18979: 16698, -18978: 16699, -18977: 16700, -18976: 16701, -18975: 16702, -18974: 16703, -18973: 16704, -18972: 16705, -18971: 16706, -18970: 16707, -18969: 16708, -18968: 16709, -18967: 16710, -18966: 16711, -18965: 16712, -18964: 16713, -18963: 16714, -18962: 16715, -18961: 16716, -18960: 16717, -18959: 16718, -18958: 16719, -18957: 16720, -18956: 16721, -18955: 16722, -18954: 16723, -18953: 16724, -18952: 16725, -18951: 16726, -18950: 16727, -18949: 16728, -18948: 16729, -18947: 16730, -18946: 16731, -18945: 16732, -18944: 16733, -18943: 16734, -18942: 16735, -18941: 16736, -18940: 16737, -18939: 16738, -18938: 16739, -18937: 16740, -18936: 16741, -18935: 16742, -18934: 16743, -18933: 16744, -18932: 16745, -18931: 16746, -18930: 16747, -18929: 16748, -18928: 16749, -18927: 16750, -18926: 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Processed: Ta4 O10
2018-07-24 10:17:32,149 INFO Added a workflow. id_map: {-28531: 19180, -28530: 19181, -28529: 19182, -28528: 19183, -28527: 19184, -28526: 19185, -28525: 19186, -28524: 19187, -28523: 19188, -28522: 19189, -28521: 19190, -28520: 19191, -28519: 19192, -28518: 19193, -28517: 19194, -28516: 19195, -28515: 19196, -28514: 19197, -28513: 19198, -28512: 19199, -28511: 19200, -28510: 19201, -28509: 19202, -28508: 19203, -28507: 19204, -28506: 19205, -28505: 19206, -28504: 19207, -28503: 19208, -28502: 19209, -28501: 19210, -28500: 19211, -28499: 19212, -28498: 19213, -28497: 19214, -28496: 19215, -28495: 19216, -28494: 19217, -28493: 19218, -28492: 19219, -28491: 19220, -28490: 19221, -28489: 19222, -28488: 19223, -28487: 19224, -28486: 19225, -28485: 19226, -28484: 19227, -28483: 19228, -28482: 19229, -28481: 19230, -28480: 19231, -28479: 19232, -28478: 19233, -28477: 19234, -28476: 19235, -28475: 19236, -28474: 19237, -28473: 19238, -28472: 19239, -28471: 19240, -28470: 19241, -28469: 19242, 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Processed: W8 O24
2018-07-24 10:17:54,623 INFO Added a workflow. id_map: {-29005: 28523, -29004: 28524, -29003: 28525, -29002: 28526, -29001: 28527, -29000: 28528, -28999: 28529, -28998: 28530, -28997: 28531, -28996: 28532, -28995: 28533, -28994: 28534, -28993: 28535, -28992: 28536, -28991: 28537, -28990: 28538, -28989: 28539, -28988: 28540, -28987: 28541, -28986: 28542, -28985: 28543, -28984: 28544, -28983: 28545, -28982: 28546, -28981: 28547, -28980: 28548, -28979: 28549, -28978: 28550, -28977: 28551, -28976: 28552, -28975: 28553, -28974: 28554, -28973: 28555, -28972: 28556, -28971: 28557, -28970: 28558, -28969: 28559, -28968: 28560, -28967: 28561, -28966: 28562, -28965: 28563, -28964: 28564, -28963: 28565, -28962: 28566, -28961: 28567, -28960: 28568, -28959: 28569, -28958: 28570, -28957: 28571, -28956: 28572, -28955: 28573, -28954: 28574, -28953: 28575, -28952: 28576, -28951: 28577, -28950: 28578, -28949: 28579, -28948: 28580, -28947: 28581, -28946: 28582, -28945: 28583, -28944: 28584, -28943: 28585, 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Processed: Re8 O24
2018-07-24 10:18:29,003 INFO Added a workflow. id_map: {-30493: 28997, -30492: 28998, -30491: 28999, -30490: 29000, -30489: 29001, -30488: 29002, -30487: 29003, -30486: 29004, -30485: 29005, -30484: 29006, -30483: 29007, -30482: 29008, -30481: 29009, -30480: 29010, -30479: 29011, -30478: 29012, -30477: 29013, -30476: 29014, -30475: 29015, -30474: 29016, -30473: 29017, -30472: 29018, -30471: 29019, -30470: 29020, -30469: 29021, -30468: 29022, -30467: 29023, -30466: 29024, -30465: 29025, -30464: 29026, -30463: 29027, -30462: 29028, -30461: 29029, -30460: 29030, -30459: 29031, -30458: 29032, -30457: 29033, -30456: 29034, -30455: 29035, -30454: 29036, -30453: 29037, -30452: 29038, -30451: 29039, -30450: 29040, -30449: 29041, -30448: 29042, -30447: 29043, -30446: 29044, -30445: 29045, -30444: 29046, -30443: 29047, -30442: 29048, -30441: 29049, -30440: 29050, -30439: 29051, -30438: 29052, -30437: 29053, -30436: 29054, -30435: 29055, -30434: 29056, -30433: 29057, -30432: 29058, -30431: 29059, 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Processed: Os2 O8
2018-07-24 10:18:37,697 INFO Added a workflow. id_map: {-30827: 30485, -30826: 30486, -30825: 30487, -30824: 30488, -30823: 30489, -30822: 30490, -30821: 30491, -30820: 30492, -30819: 30493, -30818: 30494, -30817: 30495, -30816: 30496, -30815: 30497, -30814: 30498, -30813: 30499, -30812: 30500, -30811: 30501, -30810: 30502, -30809: 30503, -30808: 30504, -30807: 30505, -30806: 30506, -30805: 30507, -30804: 30508, -30803: 30509, -30802: 30510, -30801: 30511, -30800: 30512, -30799: 30513, -30798: 30514, -30797: 30515, -30796: 30516, -30795: 30517, -30794: 30518, -30793: 30519, -30792: 30520, -30791: 30521, -30790: 30522, -30789: 30523, -30788: 30524, -30787: 30525, -30786: 30526, -30785: 30527, -30784: 30528, -30783: 30529, -30782: 30530, -30781: 30531, -30780: 30532, -30779: 30533, -30778: 30534, -30777: 30535, -30776: 30536, -30775: 30537, -30774: 30538, -30773: 30539, -30772: 30540, -30771: 30541, -30770: 30542, -30769: 30543, -30768: 30544, -30767: 30545, -30766: 30546, -30765: 30547, 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-30631: 30681, -30630: 30682, -30629: 30683, -30628: 30684, -30627: 30685, -30626: 30686, -30625: 30687, -30624: 30688, -30623: 30689, -30622: 30690, -30621: 30691, -30620: 30692, -30619: 30693, -30618: 30694, -30617: 30695, -30616: 30696, -30615: 30697, -30614: 30698, -30613: 30699, -30612: 30700, -30611: 30701, -30610: 30702, -30609: 30703, -30608: 30704, -30607: 30705, -30606: 30706, -30605: 30707, -30604: 30708, -30603: 30709, -30602: 30710, -30601: 30711, -30600: 30712, -30599: 30713, -30598: 30714, -30597: 30715, -30596: 30716, -30595: 30717, -30594: 30718, -30593: 30719, -30592: 30720, -30591: 30721, -30590: 30722, -30589: 30723, -30588: 30724, -30587: 30725, -30586: 30726, -30585: 30727, -30584: 30728, -30583: 30729, -30582: 30730, -30581: 30731, -30580: 30732, -30579: 30733, -30578: 30734, -30577: 30735, -30576: 30736, -30575: 30737, -30574: 30738, -30573: 30739, -30572: 30740, -30571: 30741, -30570: 30742, -30569: 30743, -30568: 30744, -30567: 30745, -30566: 30746, -30565: 30747, -30564: 30748, -30563: 30749, -30562: 30750, -30561: 30751, -30560: 30752, -30559: 30753, -30558: 30754, -30557: 30755, -30556: 30756, -30555: 30757, -30554: 30758, -30553: 30759, -30552: 30760, -30551: 30761, -30550: 30762, -30549: 30763, -30548: 30764, -30547: 30765, -30546: 30766, -30545: 30767, -30544: 30768, -30543: 30769, -30542: 30770, -30541: 30771, -30540: 30772, -30539: 30773, -30538: 30774, -30537: 30775, -30536: 30776, -30535: 30777, -30534: 30778, -30533: 30779, -30532: 30780, -30531: 30781, -30530: 30782, -30529: 30783, -30528: 30784, -30527: 30785, -30526: 30786, -30525: 30787, -30524: 30788, -30523: 30789, -30522: 30790, -30521: 30791, -30520: 30792, -30519: 30793, -30518: 30794, -30517: 30795, -30516: 30796, -30515: 30797, -30514: 30798, -30513: 30799, -30512: 30800, -30511: 30801, -30510: 30802, -30509: 30803, -30508: 30804, -30507: 30805, -30506: 30806, -30505: 30807, -30504: 30808, -30503: 30809, -30502: 30810, -30501: 30811, -30500: 30812, -30499: 30813, -30498: 30814, -30497: 30815, -30496: 30816, -30495: 30817, -30494: 30818}
Processed: Ir2 O4
2018-07-24 10:18:41,637 INFO Added a workflow. id_map: {-31050: 30819, -31049: 30820, -31048: 30821, -31047: 30822, -31046: 30823, -31045: 30824, -31044: 30825, -31043: 30826, -31042: 30827, -31041: 30828, -31040: 30829, -31039: 30830, -31038: 30831, -31037: 30832, -31036: 30833, -31035: 30834, -31034: 30835, -31033: 30836, -31032: 30837, -31031: 30838, -31030: 30839, -31029: 30840, -31028: 30841, -31027: 30842, -31026: 30843, -31025: 30844, -31024: 30845, -31023: 30846, -31022: 30847, -31021: 30848, -31020: 30849, -31019: 30850, -31018: 30851, -31017: 30852, -31016: 30853, -31015: 30854, -31014: 30855, -31013: 30856, -31012: 30857, -31011: 30858, -31010: 30859, -31009: 30860, -31008: 30861, -31007: 30862, -31006: 30863, -31005: 30864, -31004: 30865, -31003: 30866, -31002: 30867, -31001: 30868, -31000: 30869, -30999: 30870, -30998: 30871, -30997: 30872, -30996: 30873, -30995: 30874, -30994: 30875, -30993: 30876, -30992: 30877, -30991: 30878, -30990: 30879, -30989: 30880, -30988: 30881, -30987: 30882, -30986: 30883, -30985: 30884, -30984: 30885, -30983: 30886, -30982: 30887, -30981: 30888, -30980: 30889, -30979: 30890, -30978: 30891, -30977: 30892, -30976: 30893, -30975: 30894, -30974: 30895, -30973: 30896, -30972: 30897, -30971: 30898, -30970: 30899, -30969: 30900, -30968: 30901, -30967: 30902, -30966: 30903, -30965: 30904, -30964: 30905, -30963: 30906, -30962: 30907, -30961: 30908, -30960: 30909, -30959: 30910, -30958: 30911, -30957: 30912, -30956: 30913, -30955: 30914, -30954: 30915, -30953: 30916, -30952: 30917, -30951: 30918, -30950: 30919, -30949: 30920, -30948: 30921, -30947: 30922, -30946: 30923, -30945: 30924, -30944: 30925, -30943: 30926, -30942: 30927, -30941: 30928, -30940: 30929, -30939: 30930, -30938: 30931, -30937: 30932, -30936: 30933, -30935: 30934, -30934: 30935, -30933: 30936, -30932: 30937, -30931: 30938, -30930: 30939, -30929: 30940, -30928: 30941, -30927: 30942, -30926: 30943, -30925: 30944, -30924: 30945, -30923: 30946, -30922: 30947, -30921: 30948, -30920: 30949, -30919: 30950, -30918: 30951, -30917: 30952, -30916: 30953, -30915: 30954, -30914: 30955, -30913: 30956, -30912: 30957, -30911: 30958, -30910: 30959, -30909: 30960, -30908: 30961, -30907: 30962, -30906: 30963, -30905: 30964, -30904: 30965, -30903: 30966, -30902: 30967, -30901: 30968, -30900: 30969, -30899: 30970, -30898: 30971, -30897: 30972, -30896: 30973, -30895: 30974, -30894: 30975, -30893: 30976, -30892: 30977, -30891: 30978, -30890: 30979, -30889: 30980, -30888: 30981, -30887: 30982, -30886: 30983, -30885: 30984, -30884: 30985, -30883: 30986, -30882: 30987, -30881: 30988, -30880: 30989, -30879: 30990, -30878: 30991, -30877: 30992, -30876: 30993, -30875: 30994, -30874: 30995, -30873: 30996, -30872: 30997, -30871: 30998, -30870: 30999, -30869: 31000, -30868: 31001, -30867: 31002, -30866: 31003, -30865: 31004, -30864: 31005, -30863: 31006, -30862: 31007, -30861: 31008, -30860: 31009, -30859: 31010, -30858: 31011, -30857: 31012, -30856: 31013, -30855: 31014, -30854: 31015, -30853: 31016, -30852: 31017, -30851: 31018, -30850: 31019, -30849: 31020, -30848: 31021, -30847: 31022, -30846: 31023, -30845: 31024, -30844: 31025, -30843: 31026, -30842: 31027, -30841: 31028, -30840: 31029, -30839: 31030, -30838: 31031, -30837: 31032, -30836: 31033, -30835: 31034, -30834: 31035, -30833: 31036, -30832: 31037, -30831: 31038, -30830: 31039, -30829: 31040, -30828: 31041}
Processed: Pt1 O2
2018-07-24 10:19:59,990 INFO Added a workflow. id_map: {-33077: 31042, -33076: 31043, -33075: 31044, -33074: 31045, -33073: 31046, -33072: 31047, -33071: 31048, -33070: 31049, -33069: 31050, -33068: 31051, -33067: 31052, -33066: 31053, -33065: 31054, -33064: 31055, -33063: 31056, -33062: 31057, -33061: 31058, -33060: 31059, -33059: 31060, -33058: 31061, -33057: 31062, -33056: 31063, -33055: 31064, -33054: 31065, -33053: 31066, -33052: 31067, -33051: 31068, -33050: 31069, -33049: 31070, -33048: 31071, -33047: 31072, -33046: 31073, -33045: 31074, -33044: 31075, -33043: 31076, -33042: 31077, -33041: 31078, -33040: 31079, -33039: 31080, -33038: 31081, -33037: 31082, -33036: 31083, -33035: 31084, -33034: 31085, -33033: 31086, -33032: 31087, -33031: 31088, -33030: 31089, -33029: 31090, -33028: 31091, -33027: 31092, -33026: 31093, -33025: 31094, -33024: 31095, -33023: 31096, -33022: 31097, -33021: 31098, -33020: 31099, -33019: 31100, -33018: 31101, -33017: 31102, -33016: 31103, -33015: 31104, -33014: 31105, -33013: 31106, -33012: 31107, -33011: 31108, -33010: 31109, -33009: 31110, -33008: 31111, -33007: 31112, -33006: 31113, -33005: 31114, -33004: 31115, -33003: 31116, -33002: 31117, -33001: 31118, -33000: 31119, -32999: 31120, -32998: 31121, -32997: 31122, -32996: 31123, -32995: 31124, -32994: 31125, -32993: 31126, -32992: 31127, -32991: 31128, -32990: 31129, -32989: 31130, -32988: 31131, -32987: 31132, -32986: 31133, -32985: 31134, -32984: 31135, -32983: 31136, -32982: 31137, -32981: 31138, -32980: 31139, -32979: 31140, -32978: 31141, -32977: 31142, -32976: 31143, -32975: 31144, -32974: 31145, -32973: 31146, -32972: 31147, -32971: 31148, -32970: 31149, -32969: 31150, -32968: 31151, -32967: 31152, -32966: 31153, -32965: 31154, -32964: 31155, -32963: 31156, -32962: 31157, -32961: 31158, -32960: 31159, -32959: 31160, -32958: 31161, -32957: 31162, -32956: 31163, -32955: 31164, -32954: 31165, -32953: 31166, -32952: 31167, -32951: 31168, -32950: 31169, -32949: 31170, -32948: 31171, -32947: 31172, -32946: 31173, -32945: 31174, -32944: 31175, -32943: 31176, -32942: 31177, -32941: 31178, -32940: 31179, -32939: 31180, -32938: 31181, -32937: 31182, -32936: 31183, -32935: 31184, -32934: 31185, -32933: 31186, -32932: 31187, -32931: 31188, -32930: 31189, -32929: 31190, -32928: 31191, -32927: 31192, -32926: 31193, -32925: 31194, -32924: 31195, -32923: 31196, -32922: 31197, -32921: 31198, -32920: 31199, -32919: 31200, -32918: 31201, -32917: 31202, -32916: 31203, -32915: 31204, -32914: 31205, -32913: 31206, -32912: 31207, -32911: 31208, -32910: 31209, -32909: 31210, -32908: 31211, -32907: 31212, -32906: 31213, -32905: 31214, -32904: 31215, -32903: 31216, -32902: 31217, -32901: 31218, -32900: 31219, -32899: 31220, -32898: 31221, -32897: 31222, -32896: 31223, -32895: 31224, -32894: 31225, -32893: 31226, -32892: 31227, -32891: 31228, -32890: 31229, -32889: 31230, -32888: 31231, -32887: 31232, -32886: 31233, -32885: 31234, -32884: 31235, -32883: 31236, -32882: 31237, -32881: 31238, -32880: 31239, -32879: 31240, -32878: 31241, -32877: 31242, -32876: 31243, -32875: 31244, -32874: 31245, -32873: 31246, -32872: 31247, -32871: 31248, -32870: 31249, -32869: 31250, -32868: 31251, -32867: 31252, -32866: 31253, -32865: 31254, -32864: 31255, -32863: 31256, -32862: 31257, -32861: 31258, -32860: 31259, -32859: 31260, -32858: 31261, -32857: 31262, -32856: 31263, -32855: 31264, -32854: 31265, -32853: 31266, -32852: 31267, -32851: 31268, -32850: 31269, -32849: 31270, -32848: 31271, -32847: 31272, -32846: 31273, -32845: 31274, -32844: 31275, -32843: 31276, -32842: 31277, -32841: 31278, -32840: 31279, -32839: 31280, -32838: 31281, -32837: 31282, -32836: 31283, -32835: 31284, -32834: 31285, -32833: 31286, -32832: 31287, -32831: 31288, -32830: 31289, -32829: 31290, -32828: 31291, -32827: 31292, -32826: 31293, -32825: 31294, -32824: 31295, -32823: 31296, -32822: 31297, -32821: 31298, -32820: 31299, -32819: 31300, -32818: 31301, -32817: 31302, -32816: 31303, -32815: 31304, -32814: 31305, -32813: 31306, -32812: 31307, -32811: 31308, -32810: 31309, -32809: 31310, -32808: 31311, -32807: 31312, -32806: 31313, -32805: 31314, -32804: 31315, -32803: 31316, -32802: 31317, -32801: 31318, -32800: 31319, -32799: 31320, -32798: 31321, -32797: 31322, -32796: 31323, -32795: 31324, -32794: 31325, -32793: 31326, -32792: 31327, -32791: 31328, -32790: 31329, -32789: 31330, -32788: 31331, -32787: 31332, -32786: 31333, -32785: 31334, -32784: 31335, -32783: 31336, -32782: 31337, -32781: 31338, -32780: 31339, -32779: 31340, -32778: 31341, -32777: 31342, -32776: 31343, -32775: 31344, -32774: 31345, -32773: 31346, -32772: 31347, -32771: 31348, -32770: 31349, -32769: 31350, -32768: 31351, -32767: 31352, -32766: 31353, -32765: 31354, -32764: 31355, -32763: 31356, -32762: 31357, -32761: 31358, -32760: 31359, -32759: 31360, -32758: 31361, -32757: 31362, -32756: 31363, -32755: 31364, -32754: 31365, -32753: 31366, -32752: 31367, -32751: 31368, -32750: 31369, -32749: 31370, -32748: 31371, -32747: 31372, -32746: 31373, -32745: 31374, -32744: 31375, -32743: 31376, -32742: 31377, -32741: 31378, -32740: 31379, -32739: 31380, -32738: 31381, -32737: 31382, -32736: 31383, -32735: 31384, -32734: 31385, -32733: 31386, -32732: 31387, -32731: 31388, -32730: 31389, -32729: 31390, -32728: 31391, -32727: 31392, -32726: 31393, -32725: 31394, -32724: 31395, -32723: 31396, -32722: 31397, -32721: 31398, -32720: 31399, -32719: 31400, -32718: 31401, -32717: 31402, -32716: 31403, -32715: 31404, -32714: 31405, -32713: 31406, -32712: 31407, -32711: 31408, -32710: 31409, -32709: 31410, -32708: 31411, -32707: 31412, -32706: 31413, -32705: 31414, -32704: 31415, -32703: 31416, -32702: 31417, -32701: 31418, -32700: 31419, -32699: 31420, -32698: 31421, -32697: 31422, -32696: 31423, -32695: 31424, -32694: 31425, -32693: 31426, -32692: 31427, -32691: 31428, -32690: 31429, -32689: 31430, -32688: 31431, -32687: 31432, -32686: 31433, -32685: 31434, -32684: 31435, -32683: 31436, -32682: 31437, -32681: 31438, -32680: 31439, -32679: 31440, -32678: 31441, -32677: 31442, -32676: 31443, -32675: 31444, -32674: 31445, -32673: 31446, -32672: 31447, -32671: 31448, -32670: 31449, -32669: 31450, -32668: 31451, -32667: 31452, -32666: 31453, -32665: 31454, -32664: 31455, -32663: 31456, -32662: 31457, -32661: 31458, -32660: 31459, -32659: 31460, -32658: 31461, -32657: 31462, -32656: 31463, -32655: 31464, -32654: 31465, -32653: 31466, -32652: 31467, -32651: 31468, -32650: 31469, -32649: 31470, -32648: 31471, -32647: 31472, -32646: 31473, -32645: 31474, -32644: 31475, -32643: 31476, -32642: 31477, -32641: 31478, -32640: 31479, -32639: 31480, -32638: 31481, -32637: 31482, -32636: 31483, -32635: 31484, -32634: 31485, -32633: 31486, -32632: 31487, -32631: 31488, -32630: 31489, -32629: 31490, -32628: 31491, -32627: 31492, -32626: 31493, -32625: 31494, -32624: 31495, -32623: 31496, -32622: 31497, -32621: 31498, -32620: 31499, -32619: 31500, -32618: 31501, -32617: 31502, -32616: 31503, -32615: 31504, -32614: 31505, -32613: 31506, -32612: 31507, -32611: 31508, -32610: 31509, -32609: 31510, -32608: 31511, -32607: 31512, -32606: 31513, -32605: 31514, -32604: 31515, -32603: 31516, -32602: 31517, -32601: 31518, -32600: 31519, -32599: 31520, -32598: 31521, -32597: 31522, -32596: 31523, -32595: 31524, -32594: 31525, -32593: 31526, -32592: 31527, -32591: 31528, -32590: 31529, -32589: 31530, -32588: 31531, -32587: 31532, -32586: 31533, -32585: 31534, -32584: 31535, -32583: 31536, -32582: 31537, -32581: 31538, -32580: 31539, -32579: 31540, -32578: 31541, -32577: 31542, -32576: 31543, -32575: 31544, -32574: 31545, -32573: 31546, -32572: 31547, -32571: 31548, -32570: 31549, -32569: 31550, -32568: 31551, -32567: 31552, -32566: 31553, -32565: 31554, -32564: 31555, -32563: 31556, -32562: 31557, -32561: 31558, -32560: 31559, -32559: 31560, -32558: 31561, -32557: 31562, -32556: 31563, -32555: 31564, -32554: 31565, -32553: 31566, -32552: 31567, -32551: 31568, -32550: 31569, -32549: 31570, -32548: 31571, -32547: 31572, -32546: 31573, -32545: 31574, -32544: 31575, -32543: 31576, -32542: 31577, -32541: 31578, -32540: 31579, -32539: 31580, -32538: 31581, -32537: 31582, -32536: 31583, -32535: 31584, -32534: 31585, -32533: 31586, -32532: 31587, -32531: 31588, -32530: 31589, -32529: 31590, -32528: 31591, -32527: 31592, -32526: 31593, -32525: 31594, -32524: 31595, -32523: 31596, -32522: 31597, -32521: 31598, -32520: 31599, -32519: 31600, -32518: 31601, -32517: 31602, -32516: 31603, -32515: 31604, -32514: 31605, -32513: 31606, -32512: 31607, -32511: 31608, -32510: 31609, -32509: 31610, -32508: 31611, -32507: 31612, -32506: 31613, -32505: 31614, -32504: 31615, -32503: 31616, -32502: 31617, -32501: 31618, -32500: 31619, -32499: 31620, -32498: 31621, -32497: 31622, -32496: 31623, -32495: 31624, -32494: 31625, -32493: 31626, -32492: 31627, -32491: 31628, -32490: 31629, -32489: 31630, -32488: 31631, -32487: 31632, -32486: 31633, -32485: 31634, -32484: 31635, -32483: 31636, -32482: 31637, -32481: 31638, -32480: 31639, -32479: 31640, -32478: 31641, -32477: 31642, -32476: 31643, -32475: 31644, -32474: 31645, -32473: 31646, -32472: 31647, -32471: 31648, -32470: 31649, -32469: 31650, -32468: 31651, -32467: 31652, -32466: 31653, -32465: 31654, -32464: 31655, -32463: 31656, -32462: 31657, -32461: 31658, -32460: 31659, -32459: 31660, -32458: 31661, -32457: 31662, -32456: 31663, -32455: 31664, -32454: 31665, -32453: 31666, -32452: 31667, -32451: 31668, -32450: 31669, -32449: 31670, -32448: 31671, -32447: 31672, -32446: 31673, -32445: 31674, -32444: 31675, -32443: 31676, -32442: 31677, -32441: 31678, -32440: 31679, -32439: 31680, -32438: 31681, -32437: 31682, -32436: 31683, -32435: 31684, -32434: 31685, -32433: 31686, -32432: 31687, -32431: 31688, -32430: 31689, -32429: 31690, -32428: 31691, -32427: 31692, -32426: 31693, -32425: 31694, -32424: 31695, -32423: 31696, -32422: 31697, -32421: 31698, -32420: 31699, -32419: 31700, -32418: 31701, -32417: 31702, -32416: 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Processed: Au16 O24
2018-07-24 10:20:21,814 INFO Added a workflow. id_map: {-34031: 33069, -34030: 33070, -34029: 33071, -34028: 33072, -34027: 33073, -34026: 33074, -34025: 33075, -34024: 33076, -34023: 33077, -34022: 33078, -34021: 33079, -34020: 33080, -34019: 33081, -34018: 33082, -34017: 33083, -34016: 33084, -34015: 33085, -34014: 33086, -34013: 33087, -34012: 33088, -34011: 33089, -34010: 33090, -34009: 33091, -34008: 33092, -34007: 33093, -34006: 33094, -34005: 33095, -34004: 33096, -34003: 33097, -34002: 33098, -34001: 33099, -34000: 33100, -33999: 33101, -33998: 33102, -33997: 33103, -33996: 33104, -33995: 33105, -33994: 33106, -33993: 33107, -33992: 33108, -33991: 33109, -33990: 33110, -33989: 33111, -33988: 33112, -33987: 33113, -33986: 33114, -33985: 33115, -33984: 33116, -33983: 33117, -33982: 33118, -33981: 33119, -33980: 33120, -33979: 33121, -33978: 33122, -33977: 33123, -33976: 33124, -33975: 33125, -33974: 33126, -33973: 33127, -33972: 33128, -33971: 33129, -33970: 33130, -33969: 33131, 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-33170: 33930, -33169: 33931, -33168: 33932, -33167: 33933, -33166: 33934, -33165: 33935, -33164: 33936, -33163: 33937, -33162: 33938, -33161: 33939, -33160: 33940, -33159: 33941, -33158: 33942, -33157: 33943, -33156: 33944, -33155: 33945, -33154: 33946, -33153: 33947, -33152: 33948, -33151: 33949, -33150: 33950, -33149: 33951, -33148: 33952, -33147: 33953, -33146: 33954, -33145: 33955, -33144: 33956, -33143: 33957, -33142: 33958, -33141: 33959, -33140: 33960, -33139: 33961, -33138: 33962, -33137: 33963, -33136: 33964, -33135: 33965, -33134: 33966, -33133: 33967, -33132: 33968, -33131: 33969, -33130: 33970, -33129: 33971, -33128: 33972, -33127: 33973, -33126: 33974, -33125: 33975, -33124: 33976, -33123: 33977, -33122: 33978, -33121: 33979, -33120: 33980, -33119: 33981, -33118: 33982, -33117: 33983, -33116: 33984, -33115: 33985, -33114: 33986, -33113: 33987, -33112: 33988, -33111: 33989, -33110: 33990, -33109: 33991, -33108: 33992, -33107: 33993, -33106: 33994, -33105: 33995, -33104: 33996, -33103: 33997, -33102: 33998, -33101: 33999, -33100: 34000, -33099: 34001, -33098: 34002, -33097: 34003, -33096: 34004, -33095: 34005, -33094: 34006, -33093: 34007, -33092: 34008, -33091: 34009, -33090: 34010, -33089: 34011, -33088: 34012, -33087: 34013, -33086: 34014, -33085: 34015, -33084: 34016, -33083: 34017, -33082: 34018, -33081: 34019, -33080: 34020, -33079: 34021, -33078: 34022}
Processed: Hg3 O3
2018-07-24 10:20:30,175 INFO Added a workflow. id_map: {-34455: 34023, -34454: 34024, -34453: 34025, -34452: 34026, -34451: 34027, -34450: 34028, -34449: 34029, -34448: 34030, -34447: 34031, -34446: 34032, -34445: 34033, -34444: 34034, -34443: 34035, -34442: 34036, -34441: 34037, -34440: 34038, -34439: 34039, -34438: 34040, -34437: 34041, -34436: 34042, -34435: 34043, -34434: 34044, -34433: 34045, -34432: 34046, -34431: 34047, -34430: 34048, -34429: 34049, -34428: 34050, -34427: 34051, -34426: 34052, -34425: 34053, -34424: 34054, -34423: 34055, -34422: 34056, -34421: 34057, -34420: 34058, -34419: 34059, -34418: 34060, -34417: 34061, -34416: 34062, -34415: 34063, -34414: 34064, -34413: 34065, -34412: 34066, -34411: 34067, -34410: 34068, -34409: 34069, -34408: 34070, -34407: 34071, -34406: 34072, -34405: 34073, -34404: 34074, -34403: 34075, -34402: 34076, -34401: 34077, -34400: 34078, -34399: 34079, -34398: 34080, -34397: 34081, -34396: 34082, -34395: 34083, -34394: 34084, -34393: 34085, -34392: 34086, -34391: 34087, -34390: 34088, -34389: 34089, -34388: 34090, -34387: 34091, -34386: 34092, -34385: 34093, -34384: 34094, -34383: 34095, -34382: 34096, -34381: 34097, -34380: 34098, -34379: 34099, -34378: 34100, -34377: 34101, -34376: 34102, -34375: 34103, -34374: 34104, -34373: 34105, -34372: 34106, -34371: 34107, -34370: 34108, -34369: 34109, -34368: 34110, -34367: 34111, -34366: 34112, -34365: 34113, -34364: 34114, -34363: 34115, -34362: 34116, -34361: 34117, -34360: 34118, -34359: 34119, -34358: 34120, -34357: 34121, -34356: 34122, -34355: 34123, -34354: 34124, -34353: 34125, -34352: 34126, -34351: 34127, -34350: 34128, -34349: 34129, -34348: 34130, -34347: 34131, -34346: 34132, -34345: 34133, -34344: 34134, -34343: 34135, -34342: 34136, -34341: 34137, -34340: 34138, -34339: 34139, -34338: 34140, -34337: 34141, -34336: 34142, -34335: 34143, -34334: 34144, -34333: 34145, -34332: 34146, -34331: 34147, -34330: 34148, -34329: 34149, -34328: 34150, -34327: 34151, -34326: 34152, -34325: 34153, -34324: 34154, -34323: 34155, -34322: 34156, -34321: 34157, -34320: 34158, -34319: 34159, -34318: 34160, -34317: 34161, -34316: 34162, -34315: 34163, -34314: 34164, -34313: 34165, -34312: 34166, -34311: 34167, -34310: 34168, -34309: 34169, -34308: 34170, -34307: 34171, -34306: 34172, -34305: 34173, -34304: 34174, -34303: 34175, -34302: 34176, -34301: 34177, -34300: 34178, -34299: 34179, -34298: 34180, -34297: 34181, -34296: 34182, -34295: 34183, -34294: 34184, -34293: 34185, -34292: 34186, -34291: 34187, -34290: 34188, -34289: 34189, -34288: 34190, -34287: 34191, -34286: 34192, -34285: 34193, -34284: 34194, -34283: 34195, -34282: 34196, -34281: 34197, -34280: 34198, -34279: 34199, -34278: 34200, -34277: 34201, -34276: 34202, -34275: 34203, -34274: 34204, -34273: 34205, -34272: 34206, -34271: 34207, -34270: 34208, -34269: 34209, -34268: 34210, -34267: 34211, -34266: 34212, -34265: 34213, -34264: 34214, -34263: 34215, -34262: 34216, -34261: 34217, -34260: 34218, -34259: 34219, -34258: 34220, -34257: 34221, -34256: 34222, -34255: 34223, -34254: 34224, -34253: 34225, -34252: 34226, -34251: 34227, -34250: 34228, -34249: 34229, -34248: 34230, -34247: 34231, -34246: 34232, -34245: 34233, -34244: 34234, -34243: 34235, -34242: 34236, -34241: 34237, -34240: 34238, -34239: 34239, -34238: 34240, -34237: 34241, -34236: 34242, -34235: 34243, -34234: 34244, -34233: 34245, -34232: 34246, -34231: 34247, -34230: 34248, -34229: 34249, -34228: 34250, -34227: 34251, -34226: 34252, -34225: 34253, -34224: 34254, -34223: 34255, -34222: 34256, -34221: 34257, -34220: 34258, -34219: 34259, -34218: 34260, -34217: 34261, -34216: 34262, -34215: 34263, -34214: 34264, -34213: 34265, -34212: 34266, -34211: 34267, -34210: 34268, -34209: 34269, -34208: 34270, -34207: 34271, -34206: 34272, -34205: 34273, -34204: 34274, -34203: 34275, -34202: 34276, -34201: 34277, -34200: 34278, -34199: 34279, -34198: 34280, -34197: 34281, -34196: 34282, -34195: 34283, -34194: 34284, -34193: 34285, -34192: 34286, -34191: 34287, -34190: 34288, -34189: 34289, -34188: 34290, -34187: 34291, -34186: 34292, -34185: 34293, -34184: 34294, -34183: 34295, -34182: 34296, -34181: 34297, -34180: 34298, -34179: 34299, -34178: 34300, -34177: 34301, -34176: 34302, -34175: 34303, -34174: 34304, -34173: 34305, -34172: 34306, -34171: 34307, -34170: 34308, -34169: 34309, -34168: 34310, -34167: 34311, -34166: 34312, -34165: 34313, -34164: 34314, -34163: 34315, -34162: 34316, -34161: 34317, -34160: 34318, -34159: 34319, -34158: 34320, -34157: 34321, -34156: 34322, -34155: 34323, -34154: 34324, -34153: 34325, -34152: 34326, -34151: 34327, -34150: 34328, -34149: 34329, -34148: 34330, -34147: 34331, -34146: 34332, -34145: 34333, -34144: 34334, -34143: 34335, -34142: 34336, -34141: 34337, -34140: 34338, -34139: 34339, -34138: 34340, -34137: 34341, -34136: 34342, -34135: 34343, -34134: 34344, -34133: 34345, -34132: 34346, -34131: 34347, -34130: 34348, -34129: 34349, -34128: 34350, -34127: 34351, -34126: 34352, -34125: 34353, -34124: 34354, -34123: 34355, -34122: 34356, -34121: 34357, -34120: 34358, -34119: 34359, -34118: 34360, -34117: 34361, -34116: 34362, -34115: 34363, -34114: 34364, -34113: 34365, -34112: 34366, -34111: 34367, -34110: 34368, -34109: 34369, -34108: 34370, -34107: 34371, -34106: 34372, -34105: 34373, -34104: 34374, -34103: 34375, -34102: 34376, -34101: 34377, -34100: 34378, -34099: 34379, -34098: 34380, -34097: 34381, -34096: 34382, -34095: 34383, -34094: 34384, -34093: 34385, -34092: 34386, -34091: 34387, -34090: 34388, -34089: 34389, -34088: 34390, -34087: 34391, -34086: 34392, -34085: 34393, -34084: 34394, -34083: 34395, -34082: 34396, -34081: 34397, -34080: 34398, -34079: 34399, -34078: 34400, -34077: 34401, -34076: 34402, -34075: 34403, -34074: 34404, -34073: 34405, -34072: 34406, -34071: 34407, -34070: 34408, -34069: 34409, -34068: 34410, -34067: 34411, -34066: 34412, -34065: 34413, -34064: 34414, -34063: 34415, -34062: 34416, -34061: 34417, -34060: 34418, -34059: 34419, -34058: 34420, -34057: 34421, -34056: 34422, -34055: 34423, -34054: 34424, -34053: 34425, -34052: 34426, -34051: 34427, -34050: 34428, -34049: 34429, -34048: 34430, -34047: 34431, -34046: 34432, -34045: 34433, -34044: 34434, -34043: 34435, -34042: 34436, -34041: 34437, -34040: 34438, -34039: 34439, -34038: 34440, -34037: 34441, -34036: 34442, -34035: 34443, -34034: 34444, -34033: 34445, -34032: 34446}
Processed: Ac2 O3

Ultimately, running this code produces workflows that contain many (tens of thousands) of calculations, all of which can be managed using FireWorks and queued on supercomputing resources. Limitations on those resources might necessitate a more selective approach towards choosing surface facets or representative materials. Nevertheless, this approach represents a way to provide for a complete and structurally accurate way of screening materials for adsorption properties than can be managed using fireworks.