element(s): ['H', 'Na', 'O', 'Si'] AFLOW prototype label: A12B2C9D_mP48_4_12a_2a_9a_a Parameter names: ['a', 'b/a', 'c/a', 'beta', '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'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['11.4731', '0.51968518', '0.5551246', '101.8916', '0.99339737', '0.33927096', '0.82292948', '0.79333704', '0.077401739', '0.19132194', '0.73056725', '0.077539031', '0.39860341', '0.64127654', '0.19513078', '0.68471424', '0.50368894', '0.25964119', '0.65072419', '0.62642868', '0.51774989', '0.53825627', '0.68561312', '0.76208189', '0.53006643', '0.62761533', '0.95199332', '0.070158043', '0.6316394', '0.88405612', '0.83812901', '0.84527186', '0.47453561', '0.94307208', '0.84021232', '0.71691896', '0.044847582', '0.0065361765', '0.72250266', '0.79407596', '0.6154886', '0.46900179', '0.069558155', '0.86430252', '0.49757302', '0.43136228', '0.7364068', '0.99087355', '0.66252039', '0.8967514', '0.98077705', '0.052186413', '0.95438295', '0.8202791', '0.68896497', '0.91676356', '0.27158828', '0.73609353', '0.72489948', '0.13798367', '0.25013358', '0.58474125', '0.32194573', '0.69842541', '0.65328364', '0.6282652', '0.43895216', '0.58468605', '0.85776716', '0.94997128', '0.81570776', '0.55637898', '0.054999692', '0.87339608', '0.014344299', '0.79211511'] 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', 'Na', 'Na', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si'] representative atom coordinates = [[0.17707052 0.33927096 0.99339737] [0.80867806 0.07740174 0.79333704] [0.60139659 0.07753903 0.73056725] [0.31528576 0.19513078 0.64127654] [0.34927581 0.25964119 0.50368894] [0.46174373 0.51774989 0.62642868] [0.46993357 0.76208189 0.68561312] [0.92984196 0.95199332 0.62761533] [0.16187099 0.88405612 0.6316394 ] [0.05692792 0.47453561 0.84527186] [0.95515242 0.71691896 0.84021232] [0.20592404 0.72250266 0.00653618] [0.93044185 0.46900179 0.6154886 ] [0.56863772 0.49757302 0.86430252] [0.33747961 0.99087355 0.7364068 ] [0.94781359 0.98077705 0.8967514 ] [0.31103503 0.8202791 0.95438295] [0.26390647 0.27158828 0.91676356] [0.74986642 0.13798367 0.72489948] [0.30157459 0.32194573 0.58474125] [0.56104784 0.6282652 0.65328364] [0.05002872 0.85776716 0.58468605] [0.94500031 0.55637898 0.81570776] [0.20788489 0.0143443 0.87339608]] spacegroup = 4 cell = [[6.369, 0, 0], [0, 5.9624, 0], [2.3641553185828, 0, 11.226878160897]] =========================================