element(s):
['O', 'Si']
AFLOW prototype label:
A2B_aP54_1_36a_18a
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', 'x37', 'y37', 'z37', 'x38', 'y38', 'z38', 'x39', 'y39', 'z39', 'x40', 'y40', 'z40', 'x41', 'y41', 'z41', 'x42', 'y42', 'z42', 'x43', 'y43', 'z43', 'x44', 'y44', 'z44', 'x45', 'y45', 'z45', 'x46', 'y46', 'z46', 'x47', 'y47', 'z47', 'x48', 'y48', 'z48', 'x49', 'y49', 'z49', 'x50', 'y50', 'z50', 'x51', 'y51', 'z51', 'x52', 'y52', 'z52', 'x53', 'y53', 'z53', 'x54', 'y54', 'z54']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.3202', '1.0000361', '1.2523136', '89.9705', '89.9357', '60.0159', '0.16841807', '0.14538823', '0.3283839', '0.50129264', '0.97636214', '0.4951613', '0.16772974', '0.64322092', '0.82826767', '0.83586429', '0.81102011', '0.16177783', '0.50187776', '0.47712378', '0.49486749', '0.16759484', '0.14315026', '0.82854154', '0.33170648', '0.81279485', '0.16202791', '4.7266743e-05', '0.47856483', '0.49491902', '0.66745447', '0.14445826', '0.82868691', '0.50286877', '0.47791053', '0.74256875', '0.83388995', '0.8113079', '0.6619956', '0.50129427', '0.47813422', '0.99491978', '0.17000663', '0.64170147', '0.32842022', '0.83490331', '0.31059238', '0.6616935', '0.50265842', '0.97525496', '0.99529454', '0.66494074', '0.14464647', '0.32856023', '0.33440054', '0.81003778', '0.66176605', '0.99982852', '0.47735642', '0.99484438', '0.5038431', '0.97223379', '0.24283776', '0.8355214', '0.30783606', '0.1615761', '0.83748836', '0.81270284', '0.40936147', '0.17046774', '0.14599636', '0.076034324', '0.33037201', '0.81324858', '0.4096941', '0.99832346', '0.47915726', '0.74264889', '0.6630945', '0.14662828', '0.076212693', '0.83625802', '0.30591232', '0.40916067', '0.50156492', '0.97458405', '0.7429329', '0.16962555', '0.63926541', '0.075956058', '0.83622246', '0.81275723', '0.90953505', '0.50404499', '0.48080864', '0.24247842', '0.66397955', '0.14542994', '0.5763794', '0.33103474', '0.81149767', '0.90942846', '0.99641919', '0.47918885', '0.24248924', '0.16978535', '0.64087147', '0.57607738', '0.83602194', '0.307634', '0.90943002', '0.16916413', '0.14651874', '0.57605857', '0.29289799', '0.019864135', '0.45227472', '0.95940805', '0.68614336', '0.78555819', '0.6264062', '0.3529395', '0.11873453', '0.66712847', '0.26862175', '0.45228298', '0.33369741', '0.93529372', '0.78562206', '0.00025401606', '0.60232371', '0.11863546', '0.043715047', '0.64352185', '0.45216994', '0.70976029', '0.31016807', '0.78561834', '0.37659026', '0.97681228', '0.11914487', '0.33425678', '0.68650196', '0.28585589', '0.66740546', '0.019324179', '0.95255163', '0.0005829139', '0.35318287', '0.61882564', '0.71001143', '0.93563212', '0.28573879', '0.042947091', '0.26880363', '0.95238364', '0.37669737', '0.60197813', '0.6188584', '0.95965243', '0.30963278', '0.2854007', '0.29282239', '0.64294248', '0.95208091', '0.62567829', '0.97696645', '0.6191752']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[1.6841807e-01 1.4538823e-01 3.2838390e-01]
 [5.0129264e-01 9.7636214e-01 4.9516130e-01]
 [1.6772974e-01 6.4322092e-01 8.2826767e-01]
 [8.3586429e-01 8.1102011e-01 1.6177783e-01]
 [5.0187776e-01 4.7712378e-01 4.9486749e-01]
 [1.6759484e-01 1.4315026e-01 8.2854154e-01]
 [3.3170648e-01 8.1279485e-01 1.6202791e-01]
 [4.7266743e-05 4.7856483e-01 4.9491902e-01]
 [6.6745447e-01 1.4445826e-01 8.2868691e-01]
 [5.0286877e-01 4.7791053e-01 7.4256875e-01]
 [8.3388995e-01 8.1130790e-01 6.6199560e-01]
 [5.0129427e-01 4.7813422e-01 9.9491978e-01]
 [1.7000663e-01 6.4170147e-01 3.2842022e-01]
 [8.3490331e-01 3.1059238e-01 6.6169350e-01]
 [5.0265842e-01 9.7525496e-01 9.9529454e-01]
 [6.6494074e-01 1.4464647e-01 3.2856023e-01]
 [3.3440054e-01 8.1003778e-01 6.6176605e-01]
 [9.9982852e-01 4.7735642e-01 9.9484438e-01]
 [5.0384310e-01 9.7223379e-01 2.4283776e-01]
 [8.3552140e-01 3.0783606e-01 1.6157610e-01]
 [8.3748836e-01 8.1270284e-01 4.0936147e-01]
 [1.7046774e-01 1.4599636e-01 7.6034324e-02]
 [3.3037201e-01 8.1324858e-01 4.0969410e-01]
 [9.9832346e-01 4.7915726e-01 7.4264889e-01]
 [6.6309450e-01 1.4662828e-01 7.6212693e-02]
 [8.3625802e-01 3.0591232e-01 4.0916067e-01]
 [5.0156492e-01 9.7458405e-01 7.4293290e-01]
 [1.6962555e-01 6.3926541e-01 7.5956058e-02]
 [8.3622246e-01 8.1275723e-01 9.0953505e-01]
 [5.0404499e-01 4.8080864e-01 2.4247842e-01]
 [6.6397955e-01 1.4542994e-01 5.7637940e-01]
 [3.3103474e-01 8.1149767e-01 9.0942846e-01]
 [9.9641919e-01 4.7918885e-01 2.4248924e-01]
 [1.6978535e-01 6.4087147e-01 5.7607738e-01]
 [8.3602194e-01 3.0763400e-01 9.0943002e-01]
 [1.6916413e-01 1.4651874e-01 5.7605857e-01]
 [2.9289799e-01 1.9864135e-02 4.5227472e-01]
 [9.5940805e-01 6.8614336e-01 7.8555819e-01]
 [6.2640620e-01 3.5293950e-01 1.1873453e-01]
 [6.6712847e-01 2.6862175e-01 4.5228298e-01]
 [3.3369741e-01 9.3529372e-01 7.8562206e-01]
 [2.5401606e-04 6.0232371e-01 1.1863546e-01]
 [4.3715047e-02 6.4352185e-01 4.5216994e-01]
 [7.0976029e-01 3.1016807e-01 7.8561834e-01]
 [3.7659026e-01 9.7681228e-01 1.1914487e-01]
 [3.3425678e-01 6.8650196e-01 2.8585589e-01]
 [6.6740546e-01 1.9324179e-02 9.5255163e-01]
 [5.8291390e-04 3.5318287e-01 6.1882564e-01]
 [7.1001143e-01 9.3563212e-01 2.8573879e-01]
 [4.2947091e-02 2.6880363e-01 9.5238364e-01]
 [3.7669737e-01 6.0197813e-01 6.1885840e-01]
 [9.5965243e-01 3.0963278e-01 2.8540070e-01]
 [2.9282239e-01 6.4294248e-01 9.5208091e-01]
 [6.2567829e-01 9.7696645e-01 6.1917520e-01]]
spacegroup =  1
cell =  [[8.3202, 0, 0], [4.1582501872512, 7.2069185946717, 0], [0.011693247130277, -0.00055313212881862, 10.419493423963]]
=========================================