element(s): ['C'] AFLOW prototype label: A_cF240_202_h2i Parameter names: ['a', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['14.9028', '0.54695135', '0.26622863', '0.59565647', '0.79644753', '0.57883118', '0.67452263', '0.34523288', '0.048719901'] model name: MEAM_LAMMPS_LeeLee_2005_C__MO_996970420049_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C'] representative atom coordinates = [[0. 0.04695135 0.76622863] [0.59565647 0.79644753 0.57883118] [0.67452263 0.34523288 0.0487199 ]] spacegroup = 202 cell = [[14.9028, 0, 0], [0, 14.9028, 0], [0, 0, 14.9028]] ========================================= Step Time Energy fmax BFGS: 0 17:41:05 -1623.577267 1.6994 BFGS: 1 17:41:06 -1627.662580 0.3079 BFGS: 2 17:41:06 -1627.805145 0.1083 BFGS: 3 17:41:07 -1627.835290 0.1039 BFGS: 4 17:41:09 -1627.899492 0.0881 BFGS: 5 17:41:10 -1627.915517 0.0372 BFGS: 6 17:41:11 -1627.916671 0.0059 BFGS: 7 17:41:12 -1627.916718 0.0047 BFGS: 8 17:41:13 -1627.916740 0.0016 BFGS: 9 17:41:14 -1627.916744 0.0004 BFGS: 10 17:41:15 -1627.916745 0.0001 BFGS: 11 17:41:16 -1627.916745 0.0001 BFGS: 12 17:41:17 -1627.916745 0.0001 BFGS: 13 17:41:17 -1627.916745 0.0000 BFGS: 14 17:41:18 -1627.916745 0.0000 BFGS: 15 17:41:19 -1627.916745 0.0000 BFGS: 16 17:41:20 -1627.916745 0.0000 BFGS: 17 17:41:21 -1627.916745 0.0000 BFGS: 18 17:41:22 -1627.916745 0.0000 Minimization converged after 18 steps. Maximum force component: 7.913578093747084e-09 eV/Angstrom Maximum stress component: 1.1383412826702162e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.00000000e+00 4.57694082e-02 7.65168810e-01] [0.00000000e+00 9.54230592e-01 7.65168810e-01] [9.37705018e-37 4.57694082e-02 2.34831190e-01] [0.00000000e+00 9.54230592e-01 2.34831190e-01] [7.65168810e-01 1.00000000e+00 4.57694082e-02] [7.65168810e-01 1.00000000e+00 9.54230592e-01] [2.34831190e-01 1.00000000e+00 4.57694082e-02] [2.34831190e-01 1.00000000e+00 9.54230592e-01] [4.57694082e-02 7.65168810e-01 0.00000000e+00] [9.54230592e-01 7.65168810e-01 0.00000000e+00] [4.57694082e-02 2.34831190e-01 1.75542035e-36] [9.54230592e-01 2.34831190e-01 0.00000000e+00] [2.54841808e-36 5.45769408e-01 2.65168810e-01] [1.64782045e-36 4.54230592e-01 2.65168810e-01] [0.00000000e+00 5.45769408e-01 7.34831190e-01] [0.00000000e+00 4.54230592e-01 7.34831190e-01] [7.65168810e-01 5.00000000e-01 5.45769408e-01] [7.65168810e-01 5.00000000e-01 4.54230592e-01] [2.34831190e-01 5.00000000e-01 5.45769408e-01] [2.34831190e-01 5.00000000e-01 4.54230592e-01] [4.57694082e-02 2.65168810e-01 5.00000000e-01] [9.54230592e-01 2.65168810e-01 5.00000000e-01] [4.57694082e-02 7.34831190e-01 5.00000000e-01] [9.54230592e-01 7.34831190e-01 5.00000000e-01] [5.00000000e-01 4.57694082e-02 2.65168810e-01] [5.00000000e-01 9.54230592e-01 2.65168810e-01] [5.00000000e-01 4.57694082e-02 7.34831190e-01] [5.00000000e-01 9.54230592e-01 7.34831190e-01] [2.65168810e-01 1.00000000e+00 5.45769408e-01] [2.65168810e-01 1.00000000e+00 4.54230592e-01] [7.34831190e-01 1.00000000e+00 5.45769408e-01] [7.34831190e-01 1.00000000e+00 4.54230592e-01] [5.45769408e-01 7.65168810e-01 5.00000000e-01] [4.54230592e-01 7.65168810e-01 5.00000000e-01] [5.45769408e-01 2.34831190e-01 5.00000000e-01] [4.54230592e-01 2.34831190e-01 5.00000000e-01] [5.00000000e-01 5.45769408e-01 7.65168810e-01] [5.00000000e-01 4.54230592e-01 7.65168810e-01] [5.00000000e-01 5.45769408e-01 2.34831190e-01] [5.00000000e-01 4.54230592e-01 2.34831190e-01] [2.65168810e-01 5.00000000e-01 4.57694082e-02] [2.65168810e-01 5.00000000e-01 9.54230592e-01] [7.34831190e-01 5.00000000e-01 4.57694082e-02] [7.34831190e-01 5.00000000e-01 9.54230592e-01] [5.45769408e-01 2.65168810e-01 0.00000000e+00] [4.54230592e-01 2.65168810e-01 0.00000000e+00] [5.45769408e-01 7.34831190e-01 1.00310445e-36] [4.54230592e-01 7.34831190e-01 0.00000000e+00] [5.95451533e-01 7.95874052e-01 5.80387366e-01] [4.04548467e-01 2.04125948e-01 5.80387366e-01] [4.04548467e-01 7.95874052e-01 4.19612634e-01] [5.95451533e-01 2.04125948e-01 4.19612634e-01] [5.80387366e-01 5.95451533e-01 7.95874052e-01] [5.80387366e-01 4.04548467e-01 2.04125948e-01] [4.19612634e-01 4.04548467e-01 7.95874052e-01] [4.19612634e-01 5.95451533e-01 2.04125948e-01] [7.95874052e-01 5.80387366e-01 5.95451533e-01] [2.04125948e-01 5.80387366e-01 4.04548467e-01] [7.95874052e-01 4.19612634e-01 4.04548467e-01] [2.04125948e-01 4.19612634e-01 5.95451533e-01] [5.95451533e-01 2.95874052e-01 8.03873660e-02] [4.04548467e-01 7.04125948e-01 8.03873660e-02] [4.04548467e-01 2.95874052e-01 9.19612634e-01] [5.95451533e-01 7.04125948e-01 9.19612634e-01] [5.80387366e-01 9.54515326e-02 2.95874052e-01] [5.80387366e-01 9.04548467e-01 7.04125948e-01] [4.19612634e-01 9.04548467e-01 2.95874052e-01] [4.19612634e-01 9.54515326e-02 7.04125948e-01] [7.95874052e-01 8.03873660e-02 9.54515326e-02] [2.04125948e-01 8.03873660e-02 9.04548467e-01] [7.95874052e-01 9.19612634e-01 9.04548467e-01] [2.04125948e-01 9.19612634e-01 9.54515326e-02] [9.54515326e-02 7.95874052e-01 8.03873660e-02] [9.04548467e-01 2.04125948e-01 8.03873660e-02] [9.04548467e-01 7.95874052e-01 9.19612634e-01] [9.54515326e-02 2.04125948e-01 9.19612634e-01] [8.03873660e-02 5.95451533e-01 2.95874052e-01] [8.03873660e-02 4.04548467e-01 7.04125948e-01] [9.19612634e-01 4.04548467e-01 2.95874052e-01] [9.19612634e-01 5.95451533e-01 7.04125948e-01] [2.95874052e-01 5.80387366e-01 9.54515326e-02] [7.04125948e-01 5.80387366e-01 9.04548467e-01] [2.95874052e-01 4.19612634e-01 9.04548467e-01] [7.04125948e-01 4.19612634e-01 9.54515326e-02] [9.54515326e-02 2.95874052e-01 5.80387366e-01] [9.04548467e-01 7.04125948e-01 5.80387366e-01] [9.04548467e-01 2.95874052e-01 4.19612634e-01] [9.54515326e-02 7.04125948e-01 4.19612634e-01] [8.03873660e-02 9.54515326e-02 7.95874052e-01] [8.03873660e-02 9.04548467e-01 2.04125948e-01] [9.19612634e-01 9.04548467e-01 7.95874052e-01] [9.19612634e-01 9.54515326e-02 2.04125948e-01] [2.95874052e-01 8.03873660e-02 5.95451533e-01] [7.04125948e-01 8.03873660e-02 4.04548467e-01] [2.95874052e-01 9.19612634e-01 4.04548467e-01] [7.04125948e-01 9.19612634e-01 5.95451533e-01] [4.04548467e-01 2.04125948e-01 4.19612634e-01] [5.95451533e-01 7.95874052e-01 4.19612634e-01] [5.95451533e-01 2.04125948e-01 5.80387366e-01] [4.04548467e-01 7.95874052e-01 5.80387366e-01] [4.19612634e-01 4.04548467e-01 2.04125948e-01] [4.19612634e-01 5.95451533e-01 7.95874052e-01] [5.80387366e-01 5.95451533e-01 2.04125948e-01] [5.80387366e-01 4.04548467e-01 7.95874052e-01] [2.04125948e-01 4.19612634e-01 4.04548467e-01] [7.95874052e-01 4.19612634e-01 5.95451533e-01] [2.04125948e-01 5.80387366e-01 5.95451533e-01] [7.95874052e-01 5.80387366e-01 4.04548467e-01] [4.04548467e-01 7.04125948e-01 9.19612634e-01] [5.95451533e-01 2.95874052e-01 9.19612634e-01] [5.95451533e-01 7.04125948e-01 8.03873660e-02] [4.04548467e-01 2.95874052e-01 8.03873660e-02] [4.19612634e-01 9.04548467e-01 7.04125948e-01] [4.19612634e-01 9.54515326e-02 2.95874052e-01] [5.80387366e-01 9.54515326e-02 7.04125948e-01] [5.80387366e-01 9.04548467e-01 2.95874052e-01] [2.04125948e-01 9.19612634e-01 9.04548467e-01] [7.95874052e-01 9.19612634e-01 9.54515326e-02] [2.04125948e-01 8.03873660e-02 9.54515326e-02] [7.95874052e-01 8.03873660e-02 9.04548467e-01] [9.04548467e-01 2.04125948e-01 9.19612634e-01] [9.54515326e-02 7.95874052e-01 9.19612634e-01] [9.54515326e-02 2.04125948e-01 8.03873660e-02] [9.04548467e-01 7.95874052e-01 8.03873660e-02] [9.19612634e-01 4.04548467e-01 7.04125948e-01] [9.19612634e-01 5.95451533e-01 2.95874052e-01] [8.03873660e-02 5.95451533e-01 7.04125948e-01] [8.03873660e-02 4.04548467e-01 2.95874052e-01] [7.04125948e-01 4.19612634e-01 9.04548467e-01] [2.95874052e-01 4.19612634e-01 9.54515326e-02] [7.04125948e-01 5.80387366e-01 9.54515326e-02] [2.95874052e-01 5.80387366e-01 9.04548467e-01] [9.04548467e-01 7.04125948e-01 4.19612634e-01] [9.54515326e-02 2.95874052e-01 4.19612634e-01] [9.54515326e-02 7.04125948e-01 5.80387366e-01] [9.04548467e-01 2.95874052e-01 5.80387366e-01] [9.19612634e-01 9.04548467e-01 2.04125948e-01] [9.19612634e-01 9.54515326e-02 7.95874052e-01] [8.03873660e-02 9.54515326e-02 2.04125948e-01] [8.03873660e-02 9.04548467e-01 7.95874052e-01] [7.04125948e-01 9.19612634e-01 4.04548467e-01] [2.95874052e-01 9.19612634e-01 5.95451533e-01] [7.04125948e-01 8.03873660e-02 5.95451533e-01] [2.95874052e-01 8.03873660e-02 4.04548467e-01] [6.75838899e-01 3.45556176e-01 4.96821244e-02] [3.24161101e-01 6.54443824e-01 4.96821244e-02] [3.24161101e-01 3.45556176e-01 9.50317876e-01] [6.75838899e-01 6.54443824e-01 9.50317876e-01] [4.96821244e-02 6.75838899e-01 3.45556176e-01] [4.96821244e-02 3.24161101e-01 6.54443824e-01] [9.50317876e-01 3.24161101e-01 3.45556176e-01] [9.50317876e-01 6.75838899e-01 6.54443824e-01] [3.45556176e-01 4.96821244e-02 6.75838899e-01] [6.54443824e-01 4.96821244e-02 3.24161101e-01] [3.45556176e-01 9.50317876e-01 3.24161101e-01] [6.54443824e-01 9.50317876e-01 6.75838899e-01] [6.75838899e-01 8.45556176e-01 5.49682124e-01] [3.24161101e-01 1.54443824e-01 5.49682124e-01] [3.24161101e-01 8.45556176e-01 4.50317876e-01] [6.75838899e-01 1.54443824e-01 4.50317876e-01] [4.96821244e-02 1.75838899e-01 8.45556176e-01] [4.96821244e-02 8.24161101e-01 1.54443824e-01] [9.50317876e-01 8.24161101e-01 8.45556176e-01] [9.50317876e-01 1.75838899e-01 1.54443824e-01] [3.45556176e-01 5.49682124e-01 1.75838899e-01] [6.54443824e-01 5.49682124e-01 8.24161101e-01] [3.45556176e-01 4.50317876e-01 8.24161101e-01] [6.54443824e-01 4.50317876e-01 1.75838899e-01] [1.75838899e-01 3.45556176e-01 5.49682124e-01] [8.24161101e-01 6.54443824e-01 5.49682124e-01] [8.24161101e-01 3.45556176e-01 4.50317876e-01] [1.75838899e-01 6.54443824e-01 4.50317876e-01] [5.49682124e-01 6.75838899e-01 8.45556176e-01] [5.49682124e-01 3.24161101e-01 1.54443824e-01] [4.50317876e-01 3.24161101e-01 8.45556176e-01] [4.50317876e-01 6.75838899e-01 1.54443824e-01] [8.45556176e-01 4.96821244e-02 1.75838899e-01] [1.54443824e-01 4.96821244e-02 8.24161101e-01] [8.45556176e-01 9.50317876e-01 8.24161101e-01] [1.54443824e-01 9.50317876e-01 1.75838899e-01] [1.75838899e-01 8.45556176e-01 4.96821244e-02] [8.24161101e-01 1.54443824e-01 4.96821244e-02] [8.24161101e-01 8.45556176e-01 9.50317876e-01] [1.75838899e-01 1.54443824e-01 9.50317876e-01] [5.49682124e-01 1.75838899e-01 3.45556176e-01] [5.49682124e-01 8.24161101e-01 6.54443824e-01] [4.50317876e-01 8.24161101e-01 3.45556176e-01] [4.50317876e-01 1.75838899e-01 6.54443824e-01] [8.45556176e-01 5.49682124e-01 6.75838899e-01] [1.54443824e-01 5.49682124e-01 3.24161101e-01] [8.45556176e-01 4.50317876e-01 3.24161101e-01] [1.54443824e-01 4.50317876e-01 6.75838899e-01] [3.24161101e-01 6.54443824e-01 9.50317876e-01] [6.75838899e-01 3.45556176e-01 9.50317876e-01] [6.75838899e-01 6.54443824e-01 4.96821244e-02] [3.24161101e-01 3.45556176e-01 4.96821244e-02] [9.50317876e-01 3.24161101e-01 6.54443824e-01] [9.50317876e-01 6.75838899e-01 3.45556176e-01] [4.96821244e-02 6.75838899e-01 6.54443824e-01] [4.96821244e-02 3.24161101e-01 3.45556176e-01] [6.54443824e-01 9.50317876e-01 3.24161101e-01] [3.45556176e-01 9.50317876e-01 6.75838899e-01] [6.54443824e-01 4.96821244e-02 6.75838899e-01] [3.45556176e-01 4.96821244e-02 3.24161101e-01] [3.24161101e-01 1.54443824e-01 4.50317876e-01] [6.75838899e-01 8.45556176e-01 4.50317876e-01] [6.75838899e-01 1.54443824e-01 5.49682124e-01] [3.24161101e-01 8.45556176e-01 5.49682124e-01] [9.50317876e-01 8.24161101e-01 1.54443824e-01] [9.50317876e-01 1.75838899e-01 8.45556176e-01] [4.96821244e-02 1.75838899e-01 1.54443824e-01] [4.96821244e-02 8.24161101e-01 8.45556176e-01] [6.54443824e-01 4.50317876e-01 8.24161101e-01] [3.45556176e-01 4.50317876e-01 1.75838899e-01] [6.54443824e-01 5.49682124e-01 1.75838899e-01] [3.45556176e-01 5.49682124e-01 8.24161101e-01] [8.24161101e-01 6.54443824e-01 4.50317876e-01] [1.75838899e-01 3.45556176e-01 4.50317876e-01] [1.75838899e-01 6.54443824e-01 5.49682124e-01] [8.24161101e-01 3.45556176e-01 5.49682124e-01] [4.50317876e-01 3.24161101e-01 1.54443824e-01] [4.50317876e-01 6.75838899e-01 8.45556176e-01] [5.49682124e-01 6.75838899e-01 1.54443824e-01] [5.49682124e-01 3.24161101e-01 8.45556176e-01] [1.54443824e-01 9.50317876e-01 8.24161101e-01] [8.45556176e-01 9.50317876e-01 1.75838899e-01] [1.54443824e-01 4.96821244e-02 1.75838899e-01] [8.45556176e-01 4.96821244e-02 8.24161101e-01] [8.24161101e-01 1.54443824e-01 9.50317876e-01] [1.75838899e-01 8.45556176e-01 9.50317876e-01] [1.75838899e-01 1.54443824e-01 4.96821244e-02] [8.24161101e-01 8.45556176e-01 4.96821244e-02] [4.50317876e-01 8.24161101e-01 6.54443824e-01] [4.50317876e-01 1.75838899e-01 3.45556176e-01] [5.49682124e-01 1.75838899e-01 6.54443824e-01] [5.49682124e-01 8.24161101e-01 3.45556176e-01] [1.54443824e-01 4.50317876e-01 3.24161101e-01] [8.45556176e-01 4.50317876e-01 6.75838899e-01] [1.54443824e-01 5.49682124e-01 6.75838899e-01] [8.45556176e-01 5.49682124e-01 3.24161101e-01]] cellpar = Cell([[14.90379609065877, 1.2642742933130665e-38, 0.0], [-9.309059283088253e-38, 14.90379609065877, 0.0], [0.0, 0.0, 14.90379609065877]]) forces = [[-4.94289959e-47 7.91357809e-09 4.86901759e-09] [ 4.94289959e-47 -7.91357809e-09 4.86901759e-09] [-2.44937960e-31 7.91357809e-09 -4.86901759e-09] [ 4.94289959e-47 -7.91357809e-09 -4.86901759e-09] [ 4.86901759e-09 6.12344900e-32 7.91357809e-09] [ 4.86901759e-09 4.13033950e-48 -7.91357809e-09] [-4.86901759e-09 -2.44937960e-31 7.91357809e-09] [-4.86901759e-09 -4.13033950e-48 -7.91357809e-09] [ 7.91357809e-09 4.86901759e-09 3.06172450e-32] [-7.91357809e-09 4.86901759e-09 0.00000000e+00] [ 7.91357809e-09 -4.86901759e-09 -3.06172450e-32] [-7.91357809e-09 -4.86901759e-09 3.06172450e-32] [-4.94289959e-47 7.91357809e-09 4.86901759e-09] [ 4.94289959e-47 -7.91357809e-09 4.86901759e-09] [-1.22468980e-31 7.91357809e-09 -4.86901759e-09] [ 4.94289959e-47 -7.91357809e-09 -4.86901759e-09] [ 4.86901759e-09 4.13033950e-48 7.91357809e-09] [ 4.86901759e-09 4.13033950e-48 -7.91357809e-09] [-4.86901759e-09 -1.22468980e-31 7.91357809e-09] [-4.86901759e-09 -4.13033950e-48 -7.91357809e-09] [ 7.91357809e-09 4.86901759e-09 0.00000000e+00] [-7.91357809e-09 4.86901759e-09 0.00000000e+00] [ 7.91357809e-09 -4.86901759e-09 -1.22468980e-31] [-7.91357809e-09 -4.86901759e-09 6.12344900e-32] [ 6.12344900e-32 7.91357809e-09 4.86901759e-09] [ 4.94289959e-47 -7.91357809e-09 4.86901759e-09] [-1.22468980e-31 7.91357809e-09 -4.86901759e-09] [ 3.82715562e-33 -7.91357809e-09 -4.86901759e-09] [ 4.86901759e-09 4.13033950e-48 7.91357809e-09] [ 4.86901759e-09 4.13033950e-48 -7.91357809e-09] [-4.86901759e-09 -2.44937960e-31 7.91357809e-09] [-4.86901759e-09 6.12344900e-32 -7.91357809e-09] [ 7.91357809e-09 4.86901759e-09 0.00000000e+00] [-7.91357809e-09 4.86901759e-09 0.00000000e+00] [ 7.91357809e-09 -4.86901759e-09 0.00000000e+00] [-7.91357809e-09 -4.86901759e-09 0.00000000e+00] [-4.94289959e-47 7.91357809e-09 4.86901759e-09] [-3.82715562e-33 -7.91357809e-09 4.86901759e-09] [-4.94289959e-47 7.91357809e-09 -4.86901759e-09] [ 5.74073344e-32 -7.91357809e-09 -4.86901759e-09] [ 4.86901759e-09 1.22468980e-31 7.91357809e-09] [ 4.86901759e-09 4.13033950e-48 -7.91357809e-09] [-4.86901759e-09 -4.13033950e-48 7.91357809e-09] [-4.86901759e-09 -4.13033950e-48 -7.91357809e-09] [ 7.91357809e-09 4.86901759e-09 1.53086225e-31] [-7.91357809e-09 4.86901759e-09 0.00000000e+00] [ 7.91357809e-09 -4.86901759e-09 -1.22468980e-31] [-7.91357809e-09 -4.86901759e-09 0.00000000e+00] [ 7.06685819e-09 3.81783006e-10 5.20217059e-10] [-7.06685819e-09 -3.81783006e-10 5.20217059e-10] [-7.06685819e-09 3.81783006e-10 -5.20217059e-10] [ 7.06685819e-09 -3.81783006e-10 -5.20217059e-10] [ 5.20217059e-10 7.06685819e-09 3.81783006e-10] [ 5.20217059e-10 -7.06685819e-09 -3.81783006e-10] [-5.20217059e-10 -7.06685819e-09 3.81783006e-10] [-5.20217059e-10 7.06685819e-09 -3.81783006e-10] [ 3.81783006e-10 5.20217059e-10 7.06685819e-09] [-3.81783006e-10 5.20217059e-10 -7.06685819e-09] [ 3.81783006e-10 -5.20217059e-10 -7.06685819e-09] [-3.81783006e-10 -5.20217059e-10 7.06685819e-09] [ 7.06685819e-09 3.81783006e-10 5.20217059e-10] [-7.06685819e-09 -3.81783006e-10 5.20217059e-10] [-7.06685819e-09 3.81783006e-10 -5.20217059e-10] [ 7.06685819e-09 -3.81783006e-10 -5.20217059e-10] [ 5.20217059e-10 7.06685819e-09 3.81783006e-10] [ 5.20217059e-10 -7.06685819e-09 -3.81783006e-10] [-5.20217059e-10 -7.06685819e-09 3.81783006e-10] [-5.20217059e-10 7.06685819e-09 -3.81783006e-10] [ 3.81783006e-10 5.20217059e-10 7.06685819e-09] [-3.81783006e-10 5.20217059e-10 -7.06685819e-09] [ 3.81783006e-10 -5.20217059e-10 -7.06685819e-09] [-3.81783006e-10 -5.20217059e-10 7.06685819e-09] [ 7.06685819e-09 3.81783006e-10 5.20217059e-10] [-7.06685819e-09 -3.81783006e-10 5.20217059e-10] [-7.06685819e-09 3.81783006e-10 -5.20217059e-10] [ 7.06685819e-09 -3.81783006e-10 -5.20217059e-10] [ 5.20217059e-10 7.06685819e-09 3.81783006e-10] [ 5.20217059e-10 -7.06685819e-09 -3.81783006e-10] [-5.20217059e-10 -7.06685819e-09 3.81783006e-10] [-5.20217059e-10 7.06685819e-09 -3.81783006e-10] [ 3.81783006e-10 5.20217059e-10 7.06685819e-09] [-3.81783006e-10 5.20217059e-10 -7.06685819e-09] [ 3.81783006e-10 -5.20217059e-10 -7.06685819e-09] [-3.81783006e-10 -5.20217059e-10 7.06685819e-09] [ 7.06685819e-09 3.81783006e-10 5.20217059e-10] [-7.06685819e-09 -3.81783006e-10 5.20217059e-10] [-7.06685819e-09 3.81783006e-10 -5.20217059e-10] [ 7.06685819e-09 -3.81783006e-10 -5.20217059e-10] [ 5.20217059e-10 7.06685819e-09 3.81783006e-10] [ 5.20217059e-10 -7.06685819e-09 -3.81783006e-10] [-5.20217059e-10 -7.06685819e-09 3.81783006e-10] [-5.20217059e-10 7.06685819e-09 -3.81783006e-10] [ 3.81783006e-10 5.20217059e-10 7.06685819e-09] [-3.81783006e-10 5.20217059e-10 -7.06685819e-09] [ 3.81783006e-10 -5.20217059e-10 -7.06685819e-09] [-3.81783006e-10 -5.20217059e-10 7.06685819e-09] [-7.06685819e-09 -3.81783006e-10 -5.20217059e-10] [ 7.06685819e-09 3.81783006e-10 -5.20217059e-10] [ 7.06685819e-09 -3.81783006e-10 5.20217059e-10] [-7.06685819e-09 3.81783006e-10 5.20217059e-10] [-5.20217059e-10 -7.06685819e-09 -3.81783006e-10] [-5.20217059e-10 7.06685819e-09 3.81783006e-10] [ 5.20217059e-10 7.06685819e-09 -3.81783006e-10] [ 5.20217059e-10 -7.06685819e-09 3.81783006e-10] [-3.81783006e-10 -5.20217059e-10 -7.06685819e-09] [ 3.81783006e-10 -5.20217059e-10 7.06685819e-09] [-3.81783006e-10 5.20217059e-10 7.06685819e-09] [ 3.81783006e-10 5.20217059e-10 -7.06685819e-09] [-7.06685819e-09 -3.81783006e-10 -5.20217059e-10] [ 7.06685819e-09 3.81783006e-10 -5.20217059e-10] [ 7.06685819e-09 -3.81783006e-10 5.20217059e-10] [-7.06685819e-09 3.81783006e-10 5.20217059e-10] [-5.20217059e-10 -7.06685819e-09 -3.81783006e-10] [-5.20217059e-10 7.06685819e-09 3.81783006e-10] [ 5.20217059e-10 7.06685819e-09 -3.81783006e-10] [ 5.20217059e-10 -7.06685819e-09 3.81783006e-10] [-3.81783006e-10 -5.20217059e-10 -7.06685819e-09] [ 3.81783006e-10 -5.20217059e-10 7.06685819e-09] [-3.81783006e-10 5.20217059e-10 7.06685819e-09] [ 3.81783006e-10 5.20217059e-10 -7.06685819e-09] [-7.06685819e-09 -3.81783006e-10 -5.20217059e-10] [ 7.06685819e-09 3.81783006e-10 -5.20217059e-10] [ 7.06685819e-09 -3.81783006e-10 5.20217059e-10] [-7.06685819e-09 3.81783006e-10 5.20217059e-10] [-5.20217059e-10 -7.06685819e-09 -3.81783006e-10] [-5.20217059e-10 7.06685819e-09 3.81783006e-10] [ 5.20217059e-10 7.06685819e-09 -3.81783006e-10] [ 5.20217059e-10 -7.06685819e-09 3.81783006e-10] [-3.81783006e-10 -5.20217059e-10 -7.06685819e-09] [ 3.81783006e-10 -5.20217059e-10 7.06685819e-09] [-3.81783006e-10 5.20217059e-10 7.06685819e-09] [ 3.81783006e-10 5.20217059e-10 -7.06685819e-09] [-7.06685819e-09 -3.81783006e-10 -5.20217059e-10] [ 7.06685819e-09 3.81783006e-10 -5.20217059e-10] [ 7.06685819e-09 -3.81783006e-10 5.20217059e-10] [-7.06685819e-09 3.81783006e-10 5.20217059e-10] [-5.20217059e-10 -7.06685819e-09 -3.81783006e-10] [-5.20217059e-10 7.06685819e-09 3.81783006e-10] [ 5.20217059e-10 7.06685819e-09 -3.81783006e-10] [ 5.20217059e-10 -7.06685819e-09 3.81783006e-10] [-3.81783006e-10 -5.20217059e-10 -7.06685819e-09] [ 3.81783006e-10 -5.20217059e-10 7.06685819e-09] [-3.81783006e-10 5.20217059e-10 7.06685819e-09] [ 3.81783006e-10 5.20217059e-10 -7.06685819e-09] [-1.23955364e-10 -4.11385245e-09 -1.43374423e-09] [ 1.23955364e-10 4.11385245e-09 -1.43374423e-09] [ 1.23955364e-10 -4.11385245e-09 1.43374423e-09] [-1.23955364e-10 4.11385245e-09 1.43374423e-09] [-1.43374423e-09 -1.23955364e-10 -4.11385245e-09] [-1.43374423e-09 1.23955364e-10 4.11385245e-09] [ 1.43374423e-09 1.23955364e-10 -4.11385245e-09] [ 1.43374423e-09 -1.23955364e-10 4.11385245e-09] [-4.11385245e-09 -1.43374423e-09 -1.23955364e-10] [ 4.11385245e-09 -1.43374423e-09 1.23955364e-10] [-4.11385245e-09 1.43374423e-09 1.23955364e-10] [ 4.11385245e-09 1.43374423e-09 -1.23955364e-10] [-1.23955364e-10 -4.11385245e-09 -1.43374423e-09] [ 1.23955364e-10 4.11385245e-09 -1.43374423e-09] [ 1.23955364e-10 -4.11385245e-09 1.43374423e-09] [-1.23955364e-10 4.11385245e-09 1.43374423e-09] [-1.43374423e-09 -1.23955364e-10 -4.11385245e-09] [-1.43374423e-09 1.23955364e-10 4.11385245e-09] [ 1.43374423e-09 1.23955364e-10 -4.11385245e-09] [ 1.43374423e-09 -1.23955364e-10 4.11385245e-09] [-4.11385245e-09 -1.43374423e-09 -1.23955364e-10] [ 4.11385245e-09 -1.43374423e-09 1.23955364e-10] [-4.11385245e-09 1.43374423e-09 1.23955364e-10] [ 4.11385245e-09 1.43374423e-09 -1.23955364e-10] [-1.23955364e-10 -4.11385245e-09 -1.43374423e-09] [ 1.23955364e-10 4.11385245e-09 -1.43374423e-09] [ 1.23955364e-10 -4.11385245e-09 1.43374423e-09] [-1.23955364e-10 4.11385245e-09 1.43374423e-09] [-1.43374423e-09 -1.23955364e-10 -4.11385245e-09] [-1.43374423e-09 1.23955364e-10 4.11385245e-09] [ 1.43374423e-09 1.23955364e-10 -4.11385245e-09] [ 1.43374423e-09 -1.23955364e-10 4.11385245e-09] [-4.11385245e-09 -1.43374423e-09 -1.23955364e-10] [ 4.11385245e-09 -1.43374423e-09 1.23955364e-10] [-4.11385245e-09 1.43374423e-09 1.23955364e-10] [ 4.11385245e-09 1.43374423e-09 -1.23955364e-10] [-1.23955364e-10 -4.11385245e-09 -1.43374423e-09] [ 1.23955364e-10 4.11385245e-09 -1.43374423e-09] [ 1.23955364e-10 -4.11385245e-09 1.43374423e-09] [-1.23955364e-10 4.11385245e-09 1.43374423e-09] [-1.43374423e-09 -1.23955364e-10 -4.11385245e-09] [-1.43374423e-09 1.23955364e-10 4.11385245e-09] [ 1.43374423e-09 1.23955364e-10 -4.11385245e-09] [ 1.43374423e-09 -1.23955364e-10 4.11385245e-09] [-4.11385245e-09 -1.43374423e-09 -1.23955364e-10] [ 4.11385245e-09 -1.43374423e-09 1.23955364e-10] [-4.11385245e-09 1.43374423e-09 1.23955364e-10] [ 4.11385245e-09 1.43374423e-09 -1.23955364e-10] [ 1.23955364e-10 4.11385245e-09 1.43374423e-09] [-1.23955364e-10 -4.11385245e-09 1.43374423e-09] [-1.23955364e-10 4.11385245e-09 -1.43374423e-09] [ 1.23955364e-10 -4.11385245e-09 -1.43374423e-09] [ 1.43374423e-09 1.23955364e-10 4.11385245e-09] [ 1.43374423e-09 -1.23955364e-10 -4.11385245e-09] [-1.43374423e-09 -1.23955364e-10 4.11385245e-09] [-1.43374423e-09 1.23955364e-10 -4.11385245e-09] [ 4.11385245e-09 1.43374423e-09 1.23955364e-10] [-4.11385245e-09 1.43374423e-09 -1.23955364e-10] [ 4.11385245e-09 -1.43374423e-09 -1.23955364e-10] [-4.11385245e-09 -1.43374423e-09 1.23955364e-10] [ 1.23955364e-10 4.11385245e-09 1.43374423e-09] [-1.23955364e-10 -4.11385245e-09 1.43374423e-09] [-1.23955364e-10 4.11385245e-09 -1.43374423e-09] [ 1.23955364e-10 -4.11385245e-09 -1.43374423e-09] [ 1.43374423e-09 1.23955364e-10 4.11385245e-09] [ 1.43374423e-09 -1.23955364e-10 -4.11385245e-09] [-1.43374423e-09 -1.23955364e-10 4.11385245e-09] [-1.43374423e-09 1.23955364e-10 -4.11385245e-09] [ 4.11385245e-09 1.43374423e-09 1.23955364e-10] [-4.11385245e-09 1.43374423e-09 -1.23955364e-10] [ 4.11385245e-09 -1.43374423e-09 -1.23955364e-10] [-4.11385245e-09 -1.43374423e-09 1.23955364e-10] [ 1.23955364e-10 4.11385245e-09 1.43374423e-09] [-1.23955364e-10 -4.11385245e-09 1.43374423e-09] [-1.23955364e-10 4.11385245e-09 -1.43374423e-09] [ 1.23955364e-10 -4.11385245e-09 -1.43374423e-09] [ 1.43374423e-09 1.23955364e-10 4.11385245e-09] [ 1.43374423e-09 -1.23955364e-10 -4.11385245e-09] [-1.43374423e-09 -1.23955364e-10 4.11385245e-09] [-1.43374423e-09 1.23955364e-10 -4.11385245e-09] [ 4.11385245e-09 1.43374423e-09 1.23955364e-10] [-4.11385245e-09 1.43374423e-09 -1.23955364e-10] [ 4.11385245e-09 -1.43374423e-09 -1.23955364e-10] [-4.11385245e-09 -1.43374423e-09 1.23955364e-10] [ 1.23955364e-10 4.11385245e-09 1.43374423e-09] [-1.23955364e-10 -4.11385245e-09 1.43374423e-09] [-1.23955364e-10 4.11385245e-09 -1.43374423e-09] [ 1.23955364e-10 -4.11385245e-09 -1.43374423e-09] [ 1.43374423e-09 1.23955364e-10 4.11385245e-09] [ 1.43374423e-09 -1.23955364e-10 -4.11385245e-09] [-1.43374423e-09 -1.23955364e-10 4.11385245e-09] [-1.43374423e-09 1.23955364e-10 -4.11385245e-09] [ 4.11385245e-09 1.43374423e-09 1.23955364e-10] [-4.11385245e-09 1.43374423e-09 -1.23955364e-10] [ 4.11385245e-09 -1.43374423e-09 -1.23955364e-10] [-4.11385245e-09 -1.43374423e-09 1.23955364e-10]] stress = [-1.13834128e-10 -1.13834128e-10 -1.13834128e-10 0.00000000e+00 0.00000000e+00 2.95954800e-34] energy per atom = -6.782986436499149 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0