element(s): ['H', 'Na', 'O', 'Si'] AFLOW prototype label: A10B2C8D_aP42_2_10i_2i_8i_i 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'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['8.5982', '0.77758135', '0.92760113', '75.6374', '108.8867', '81.4582', '0.54406417', '0.074507635', '0.13735086', '0.51165812', '0.79246982', '0.31358972', '0.60762711', '0.65613842', '0.53116967', '0.6525316', '0.75165919', '0.80513845', '0.71167452', '0.49579733', '0.84161611', '0.9200071', '0.57469287', '0.22780915', '0.91030605', '0.36362147', '0.16693759', '0.90735289', '0.11265916', '0.68307077', '0.74045401', '0.041985149', '0.68089593', '0.93655339', '0.2179553', '0.92143068', '0.84911985', '0.81290795', '0.45847576', '0.66224664', '0.36857244', '0.31694668', '0.92527292', '0.82781238', '0.17701794', '0.64276628', '0.98836913', '0.84961571', '0.8462834', '0.24228974', '0.97609781', '0.65609498', '0.11045359', '0.15382094', '0.61221322', '0.67424087', '0.40488199', '0.6266302', '0.6305916', '0.75649915', '0.92016843', '0.41912053', '0.27301321', '0.80570759', '0.079040388', '0.59924308', '0.7665055', '0.029889997', '0.033630228'] 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', 'Na', 'Na', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si'] representative atom coordinates = [[0.54406417 0.07450764 0.13735086] [0.51165812 0.79246982 0.31358972] [0.60762711 0.65613842 0.53116967] [0.6525316 0.75165919 0.80513845] [0.71167452 0.49579733 0.84161611] [0.9200071 0.57469287 0.22780915] [0.91030605 0.36362147 0.16693759] [0.90735289 0.11265916 0.68307077] [0.74045401 0.04198515 0.68089593] [0.93655339 0.2179553 0.92143068] [0.84911985 0.81290795 0.45847576] [0.66224664 0.36857244 0.31694668] [0.92527292 0.82781238 0.17701794] [0.64276628 0.98836913 0.84961571] [0.8462834 0.24228974 0.97609781] [0.65609498 0.11045359 0.15382094] [0.61221322 0.67424087 0.40488199] [0.6266302 0.6305916 0.75649915] [0.92016843 0.41912053 0.27301321] [0.80570759 0.07904039 0.59924308] [0.7665055 0.02989 0.03363023]] spacegroup = 2 cell = [[8.5982, 0, 0], [0.99304793071367, 6.6116395430563, 0], [-2.5817165101463, 2.3883901832614, 7.1583603348629]] =========================================