element(s):
['H', 'O']
AFLOW prototype label:
A2B_aP36_1_24a_12a
Parameter names:
['a', 'b/a', 'c/a', 'alpha', 'beta', 'gamma', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21', 'x22', 'y22', 'z22', 'x23', 'y23', 'z23', 'x24', 'y24', 'z24', 'x25', 'y25', 'z25', 'x26', 'y26', 'z26', 'x27', 'y27', 'z27', 'x28', 'y28', 'z28', 'x29', 'y29', 'z29', 'x30', 'y30', 'z30', 'x31', 'y31', 'z31', 'x32', 'y32', 'z32', 'x33', 'y33', 'z33', 'x34', 'y34', 'z34', 'x35', 'y35', 'z35', 'x36', 'y36', 'z36']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.2683', '0.48035267', '0.9918121', '90.0073', '90.0016', '89.9963', '0.053779792', '0.14236908', '0.087941897', '0.55435801', '0.10930152', '0.91228797', '0.59879635', '0.39200954', '0.04271239', '0.92512891', '0.26465335', '0.84309819', '0.78005029', '0.19543291', '0.72543246', '0.21981212', '0.55381958', '0.22573931', '0.074946076', '0.48396064', '0.34361897', '0.44565947', '0.64165224', '0.4116287', '0.40099259', '0.35918711', '0.54204555', '0.85012776', '0.73262617', '0.08108566', '0.72781052', '0.81542126', '0.2205671', '0.22848146', '0.43523769', '0.77976089', '0.90131231', '0.88914274', '0.4582326', '0.35085497', '0.51854994', '0.91909136', '0.098439389', '0.85936728', '0.95778114', '0.72031585', '0.69594988', '0.7735814', '0.57508909', '0.76619829', '0.65629544', '0.64892026', '0.23213451', '0.41898149', '0.77176492', '0.31485221', '0.28008761', '0.42493568', '0.98513942', '0.15658083', '0.27963161', '0.054112211', '0.27391705', '0.14960492', '0.016850772', '0.58116413', '0.27243202', '0.93475836', '0.72020306', '0.94601905', '0.60603637', '0.58830306', '0.50842284', '0.25036264', '0.001444375', '0.86070926', '0.37280138', '0.75451575', '0.13944476', '0.37627521', '0.25476269', '0.49143721', '0.50072833', '0.500814', '0.75575535', '0.63502666', '0.13993499', '0.25640824', '0.61583091', '0.86022023', '0.9917667', '0.74746044', '0.49920156', '0.24426397', '0.11480498', '0.63966207', '0.36022692', '0.87665422', '0.24485441', '0.74369314', '0.13451893', '0.36045335', '0.63992681', '0.8737381', '0.74480851', '0.0079813658', '0.0012351561', '0.99878983']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O']
representative atom coordinates =  [[0.0879419  0.94622021 0.85763092]
 [0.91228797 0.44564199 0.89069848]
 [0.04271239 0.40120365 0.60799046]
 [0.84309819 0.07487109 0.73534665]
 [0.72543246 0.21994971 0.80456709]
 [0.22573931 0.78018788 0.44618042]
 [0.34361897 0.92505392 0.51603936]
 [0.4116287  0.55434053 0.35834776]
 [0.54204555 0.59900741 0.64081289]
 [0.08108566 0.14987224 0.26737383]
 [0.2205671  0.27218948 0.18457874]
 [0.77976089 0.77151854 0.56476231]
 [0.4582326  0.09868769 0.11085726]
 [0.91909136 0.64914503 0.48145006]
 [0.95778114 0.90156061 0.14063272]
 [0.7735814  0.27968415 0.30405012]
 [0.65629544 0.42491091 0.23380171]
 [0.41898149 0.35107974 0.76786549]
 [0.28008761 0.22823508 0.68514779]
 [0.15658083 0.57506432 0.01486058]
 [0.27391705 0.72036839 0.94588779]
 [0.58116413 0.85039508 0.98314923]
 [0.72020306 0.72756798 0.06524164]
 [0.58830306 0.05398095 0.39396363]
 [0.00144437 0.49157716 0.74963736]
 [0.75451575 0.13929074 0.62719862]
 [0.25476269 0.86055524 0.62372479]
 [0.500814   0.50856279 0.49927167]
 [0.13993499 0.24424465 0.36497334]
 [0.86022023 0.74359176 0.38416909]
 [0.49920156 0.0082333  0.25253956]
 [0.63966207 0.75573603 0.88519502]
 [0.24485441 0.63977308 0.12334578]
 [0.36045335 0.25630686 0.86548107]
 [0.74480851 0.36007319 0.1262619 ]
 [0.99878983 0.99201863 0.99876484]]
spacegroup =  1
cell =  [[8.2006, 0, 0], [0.0002308944936374, 8.2682999967761, 0], [0.00050603046451165, 0.00025646706392097, 3.9716999594831]]
=========================================