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_Lee_2006_FeC__MO_856956178669_002 ==== 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 17:40:35 -1623.577268 1.6994 BFGS: 1 17:40:36 -1627.662581 0.3079 BFGS: 2 17:40:37 -1627.805145 0.1083 BFGS: 3 17:40:37 -1627.835290 0.1039 BFGS: 4 17:40:38 -1627.899491 0.0881 BFGS: 5 17:40:39 -1627.915518 0.0372 BFGS: 6 17:40:40 -1627.916671 0.0059 BFGS: 7 17:40:43 -1627.916719 0.0047 BFGS: 8 17:40:45 -1627.916740 0.0016 BFGS: 9 17:40:46 -1627.916745 0.0004 BFGS: 10 17:40:47 -1627.916745 0.0001 BFGS: 11 17:40:47 -1627.916745 0.0001 BFGS: 12 17:40:48 -1627.916745 0.0001 BFGS: 13 17:40:49 -1627.916745 0.0000 BFGS: 14 17:40:50 -1627.916745 0.0000 BFGS: 15 17:40:51 -1627.916745 0.0000 BFGS: 16 17:40:52 -1627.916745 0.0000 BFGS: 17 17:40:53 -1627.916745 0.0000 BFGS: 18 17:40:54 -1627.916745 0.0000 Minimization converged after 18 steps. Maximum force component: 7.919590548170305e-09 eV/Angstrom Maximum stress component: 1.1383639410346797e-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 = [[2.13641979e-37 4.57694082e-02 7.65168810e-01] [9.97129609e-39 9.54230592e-01 7.65168810e-01] [0.00000000e+00 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 2.76192863e-38] [9.54230592e-01 7.65168810e-01 3.99508922e-38] [4.57694082e-02 2.34831190e-01 0.00000000e+00] [9.54230592e-01 2.34831190e-01 0.00000000e+00] [6.23207150e-36 5.45769408e-01 2.65168810e-01] [1.13931427e-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 2.87751221e-38] [4.54230592e-01 2.65168810e-01 3.41005771e-38] [5.45769408e-01 7.34831190e-01 0.00000000e+00] [4.54230592e-01 7.34831190e-01 0.00000000e+00] [5.95451532e-01 7.95874052e-01 5.80387366e-01] [4.04548468e-01 2.04125948e-01 5.80387366e-01] [4.04548468e-01 7.95874052e-01 4.19612634e-01] [5.95451532e-01 2.04125948e-01 4.19612634e-01] [5.80387366e-01 5.95451532e-01 7.95874052e-01] [5.80387366e-01 4.04548468e-01 2.04125948e-01] [4.19612634e-01 4.04548468e-01 7.95874052e-01] [4.19612634e-01 5.95451532e-01 2.04125948e-01] [7.95874052e-01 5.80387366e-01 5.95451532e-01] [2.04125948e-01 5.80387366e-01 4.04548468e-01] [7.95874052e-01 4.19612634e-01 4.04548468e-01] [2.04125948e-01 4.19612634e-01 5.95451532e-01] [5.95451532e-01 2.95874052e-01 8.03873657e-02] [4.04548468e-01 7.04125948e-01 8.03873657e-02] [4.04548468e-01 2.95874052e-01 9.19612634e-01] [5.95451532e-01 7.04125948e-01 9.19612634e-01] [5.80387366e-01 9.54515325e-02 2.95874052e-01] [5.80387366e-01 9.04548468e-01 7.04125948e-01] [4.19612634e-01 9.04548468e-01 2.95874052e-01] [4.19612634e-01 9.54515325e-02 7.04125948e-01] [7.95874052e-01 8.03873657e-02 9.54515325e-02] [2.04125948e-01 8.03873657e-02 9.04548468e-01] [7.95874052e-01 9.19612634e-01 9.04548468e-01] [2.04125948e-01 9.19612634e-01 9.54515325e-02] [9.54515325e-02 7.95874052e-01 8.03873657e-02] [9.04548468e-01 2.04125948e-01 8.03873657e-02] [9.04548468e-01 7.95874052e-01 9.19612634e-01] [9.54515325e-02 2.04125948e-01 9.19612634e-01] [8.03873657e-02 5.95451532e-01 2.95874052e-01] [8.03873657e-02 4.04548468e-01 7.04125948e-01] [9.19612634e-01 4.04548468e-01 2.95874052e-01] [9.19612634e-01 5.95451532e-01 7.04125948e-01] [2.95874052e-01 5.80387366e-01 9.54515325e-02] [7.04125948e-01 5.80387366e-01 9.04548468e-01] [2.95874052e-01 4.19612634e-01 9.04548468e-01] [7.04125948e-01 4.19612634e-01 9.54515325e-02] [9.54515325e-02 2.95874052e-01 5.80387366e-01] [9.04548468e-01 7.04125948e-01 5.80387366e-01] [9.04548468e-01 2.95874052e-01 4.19612634e-01] [9.54515325e-02 7.04125948e-01 4.19612634e-01] [8.03873657e-02 9.54515325e-02 7.95874052e-01] [8.03873657e-02 9.04548468e-01 2.04125948e-01] [9.19612634e-01 9.04548468e-01 7.95874052e-01] [9.19612634e-01 9.54515325e-02 2.04125948e-01] [2.95874052e-01 8.03873657e-02 5.95451532e-01] [7.04125948e-01 8.03873657e-02 4.04548468e-01] [2.95874052e-01 9.19612634e-01 4.04548468e-01] [7.04125948e-01 9.19612634e-01 5.95451532e-01] [4.04548468e-01 2.04125948e-01 4.19612634e-01] [5.95451532e-01 7.95874052e-01 4.19612634e-01] [5.95451532e-01 2.04125948e-01 5.80387366e-01] [4.04548468e-01 7.95874052e-01 5.80387366e-01] [4.19612634e-01 4.04548468e-01 2.04125948e-01] [4.19612634e-01 5.95451532e-01 7.95874052e-01] [5.80387366e-01 5.95451532e-01 2.04125948e-01] [5.80387366e-01 4.04548468e-01 7.95874052e-01] [2.04125948e-01 4.19612634e-01 4.04548468e-01] [7.95874052e-01 4.19612634e-01 5.95451532e-01] [2.04125948e-01 5.80387366e-01 5.95451532e-01] [7.95874052e-01 5.80387366e-01 4.04548468e-01] [4.04548468e-01 7.04125948e-01 9.19612634e-01] [5.95451532e-01 2.95874052e-01 9.19612634e-01] [5.95451532e-01 7.04125948e-01 8.03873657e-02] [4.04548468e-01 2.95874052e-01 8.03873657e-02] [4.19612634e-01 9.04548468e-01 7.04125948e-01] [4.19612634e-01 9.54515325e-02 2.95874052e-01] [5.80387366e-01 9.54515325e-02 7.04125948e-01] [5.80387366e-01 9.04548468e-01 2.95874052e-01] [2.04125948e-01 9.19612634e-01 9.04548468e-01] [7.95874052e-01 9.19612634e-01 9.54515325e-02] [2.04125948e-01 8.03873657e-02 9.54515325e-02] [7.95874052e-01 8.03873657e-02 9.04548468e-01] [9.04548468e-01 2.04125948e-01 9.19612634e-01] [9.54515325e-02 7.95874052e-01 9.19612634e-01] [9.54515325e-02 2.04125948e-01 8.03873657e-02] [9.04548468e-01 7.95874052e-01 8.03873657e-02] [9.19612634e-01 4.04548468e-01 7.04125948e-01] [9.19612634e-01 5.95451532e-01 2.95874052e-01] [8.03873657e-02 5.95451532e-01 7.04125948e-01] [8.03873657e-02 4.04548468e-01 2.95874052e-01] [7.04125948e-01 4.19612634e-01 9.04548468e-01] [2.95874052e-01 4.19612634e-01 9.54515325e-02] [7.04125948e-01 5.80387366e-01 9.54515325e-02] [2.95874052e-01 5.80387366e-01 9.04548468e-01] [9.04548468e-01 7.04125948e-01 4.19612634e-01] [9.54515325e-02 2.95874052e-01 4.19612634e-01] [9.54515325e-02 7.04125948e-01 5.80387366e-01] [9.04548468e-01 2.95874052e-01 5.80387366e-01] [9.19612634e-01 9.04548468e-01 2.04125948e-01] [9.19612634e-01 9.54515325e-02 7.95874052e-01] [8.03873657e-02 9.54515325e-02 2.04125948e-01] [8.03873657e-02 9.04548468e-01 7.95874052e-01] [7.04125948e-01 9.19612634e-01 4.04548468e-01] [2.95874052e-01 9.19612634e-01 5.95451532e-01] [7.04125948e-01 8.03873657e-02 5.95451532e-01] [2.95874052e-01 8.03873657e-02 4.04548468e-01] [6.75838898e-01 3.45556176e-01 4.96821243e-02] [3.24161102e-01 6.54443824e-01 4.96821243e-02] [3.24161102e-01 3.45556176e-01 9.50317876e-01] [6.75838898e-01 6.54443824e-01 9.50317876e-01] [4.96821243e-02 6.75838898e-01 3.45556176e-01] [4.96821243e-02 3.24161102e-01 6.54443824e-01] [9.50317876e-01 3.24161102e-01 3.45556176e-01] [9.50317876e-01 6.75838898e-01 6.54443824e-01] [3.45556176e-01 4.96821243e-02 6.75838898e-01] [6.54443824e-01 4.96821243e-02 3.24161102e-01] [3.45556176e-01 9.50317876e-01 3.24161102e-01] [6.54443824e-01 9.50317876e-01 6.75838898e-01] [6.75838898e-01 8.45556176e-01 5.49682124e-01] [3.24161102e-01 1.54443824e-01 5.49682124e-01] [3.24161102e-01 8.45556176e-01 4.50317876e-01] [6.75838898e-01 1.54443824e-01 4.50317876e-01] [4.96821243e-02 1.75838898e-01 8.45556176e-01] [4.96821243e-02 8.24161102e-01 1.54443824e-01] [9.50317876e-01 8.24161102e-01 8.45556176e-01] [9.50317876e-01 1.75838898e-01 1.54443824e-01] [3.45556176e-01 5.49682124e-01 1.75838898e-01] [6.54443824e-01 5.49682124e-01 8.24161102e-01] [3.45556176e-01 4.50317876e-01 8.24161102e-01] [6.54443824e-01 4.50317876e-01 1.75838898e-01] [1.75838898e-01 3.45556176e-01 5.49682124e-01] [8.24161102e-01 6.54443824e-01 5.49682124e-01] [8.24161102e-01 3.45556176e-01 4.50317876e-01] [1.75838898e-01 6.54443824e-01 4.50317876e-01] [5.49682124e-01 6.75838898e-01 8.45556176e-01] [5.49682124e-01 3.24161102e-01 1.54443824e-01] [4.50317876e-01 3.24161102e-01 8.45556176e-01] [4.50317876e-01 6.75838898e-01 1.54443824e-01] [8.45556176e-01 4.96821243e-02 1.75838898e-01] [1.54443824e-01 4.96821243e-02 8.24161102e-01] [8.45556176e-01 9.50317876e-01 8.24161102e-01] [1.54443824e-01 9.50317876e-01 1.75838898e-01] [1.75838898e-01 8.45556176e-01 4.96821243e-02] [8.24161102e-01 1.54443824e-01 4.96821243e-02] [8.24161102e-01 8.45556176e-01 9.50317876e-01] [1.75838898e-01 1.54443824e-01 9.50317876e-01] [5.49682124e-01 1.75838898e-01 3.45556176e-01] [5.49682124e-01 8.24161102e-01 6.54443824e-01] [4.50317876e-01 8.24161102e-01 3.45556176e-01] [4.50317876e-01 1.75838898e-01 6.54443824e-01] [8.45556176e-01 5.49682124e-01 6.75838898e-01] [1.54443824e-01 5.49682124e-01 3.24161102e-01] [8.45556176e-01 4.50317876e-01 3.24161102e-01] [1.54443824e-01 4.50317876e-01 6.75838898e-01] [3.24161102e-01 6.54443824e-01 9.50317876e-01] [6.75838898e-01 3.45556176e-01 9.50317876e-01] [6.75838898e-01 6.54443824e-01 4.96821243e-02] [3.24161102e-01 3.45556176e-01 4.96821243e-02] [9.50317876e-01 3.24161102e-01 6.54443824e-01] [9.50317876e-01 6.75838898e-01 3.45556176e-01] [4.96821243e-02 6.75838898e-01 6.54443824e-01] [4.96821243e-02 3.24161102e-01 3.45556176e-01] [6.54443824e-01 9.50317876e-01 3.24161102e-01] [3.45556176e-01 9.50317876e-01 6.75838898e-01] [6.54443824e-01 4.96821243e-02 6.75838898e-01] [3.45556176e-01 4.96821243e-02 3.24161102e-01] [3.24161102e-01 1.54443824e-01 4.50317876e-01] [6.75838898e-01 8.45556176e-01 4.50317876e-01] [6.75838898e-01 1.54443824e-01 5.49682124e-01] [3.24161102e-01 8.45556176e-01 5.49682124e-01] [9.50317876e-01 8.24161102e-01 1.54443824e-01] [9.50317876e-01 1.75838898e-01 8.45556176e-01] [4.96821243e-02 1.75838898e-01 1.54443824e-01] [4.96821243e-02 8.24161102e-01 8.45556176e-01] [6.54443824e-01 4.50317876e-01 8.24161102e-01] [3.45556176e-01 4.50317876e-01 1.75838898e-01] [6.54443824e-01 5.49682124e-01 1.75838898e-01] [3.45556176e-01 5.49682124e-01 8.24161102e-01] [8.24161102e-01 6.54443824e-01 4.50317876e-01] [1.75838898e-01 3.45556176e-01 4.50317876e-01] [1.75838898e-01 6.54443824e-01 5.49682124e-01] [8.24161102e-01 3.45556176e-01 5.49682124e-01] [4.50317876e-01 3.24161102e-01 1.54443824e-01] [4.50317876e-01 6.75838898e-01 8.45556176e-01] [5.49682124e-01 6.75838898e-01 1.54443824e-01] [5.49682124e-01 3.24161102e-01 8.45556176e-01] [1.54443824e-01 9.50317876e-01 8.24161102e-01] [8.45556176e-01 9.50317876e-01 1.75838898e-01] [1.54443824e-01 4.96821243e-02 1.75838898e-01] [8.45556176e-01 4.96821243e-02 8.24161102e-01] [8.24161102e-01 1.54443824e-01 9.50317876e-01] [1.75838898e-01 8.45556176e-01 9.50317876e-01] [1.75838898e-01 1.54443824e-01 4.96821243e-02] [8.24161102e-01 8.45556176e-01 4.96821243e-02] [4.50317876e-01 8.24161102e-01 6.54443824e-01] [4.50317876e-01 1.75838898e-01 3.45556176e-01] [5.49682124e-01 1.75838898e-01 6.54443824e-01] [5.49682124e-01 8.24161102e-01 3.45556176e-01] [1.54443824e-01 4.50317876e-01 3.24161102e-01] [8.45556176e-01 4.50317876e-01 6.75838898e-01] [1.54443824e-01 5.49682124e-01 6.75838898e-01] [8.45556176e-01 5.49682124e-01 3.24161102e-01]] cellpar = Cell([[14.903796090147408, -6.840326574292788e-38, 0.0], [4.961270898077528e-38, 14.903796090147408, 0.0], [0.0, 0.0, 14.903796090147408]]) forces = [[-1.22468980e-31 7.91959055e-09 4.87910683e-09] [ 6.12344900e-32 -7.91959055e-09 4.87910683e-09] [-1.22468980e-31 7.91959055e-09 -4.87910683e-09] [-1.22468980e-31 -7.91959055e-09 -4.87910683e-09] [ 4.87910683e-09 -1.22468980e-31 7.91959055e-09] [ 4.87910683e-09 4.59258675e-32 -7.91959055e-09] [-4.87910683e-09 -1.22468980e-31 7.91959055e-09] [-4.87910683e-09 -1.14695070e-31 -7.91959055e-09] [ 7.91959055e-09 4.87910683e-09 -1.83703470e-31] [-7.91959055e-09 4.87910683e-09 -1.37777602e-31] [ 7.91959055e-09 -4.87910683e-09 -6.12344900e-32] [-7.91959055e-09 -4.87910683e-09 -1.22468980e-31] [-1.30123291e-31 7.91959055e-09 4.87910683e-09] [ 1.37777602e-31 -7.91959055e-09 4.87910683e-09] [-2.44937960e-31 7.91959055e-09 -4.87910683e-09] [-9.18517350e-32 -7.91959055e-09 -4.87910683e-09] [ 4.87910683e-09 -1.22468980e-31 7.91959055e-09] [ 4.87910683e-09 -2.23934116e-47 -7.91959055e-09] [-4.87910683e-09 -2.44937960e-31 7.91959055e-09] [-4.87910683e-09 -9.18517350e-32 -7.91959055e-09] [ 7.91959055e-09 4.87910683e-09 -1.83703470e-31] [-7.91959055e-09 4.87910683e-09 -6.12344900e-32] [ 7.91959055e-09 -4.87910683e-09 -2.14320715e-31] [-7.91959055e-09 -4.87910683e-09 -6.12344900e-32] [-1.14814669e-31 7.91959055e-09 4.87910683e-09] [ 1.45431914e-31 -7.91959055e-09 4.87910683e-09] [-2.44937960e-31 7.91959055e-09 -4.87910683e-09] [-9.56788906e-32 -7.91959055e-09 -4.87910683e-09] [ 4.87910683e-09 -1.22468980e-31 7.91959055e-09] [ 4.87910683e-09 1.22468980e-31 -7.91959055e-09] [-4.87910683e-09 -2.44937960e-31 7.91959055e-09] [-4.87910683e-09 -1.22468980e-31 -7.91959055e-09] [ 7.91959055e-09 4.87910683e-09 -1.83703470e-31] [-7.91959055e-09 4.87910683e-09 -9.18517350e-32] [ 7.91959055e-09 -4.87910683e-09 -6.12344900e-32] [-7.91959055e-09 -4.87910683e-09 -1.22468980e-31] [-1.22468980e-31 7.91959055e-09 4.87910683e-09] [ 6.12344900e-32 -7.91959055e-09 4.87910683e-09] [-1.22468980e-31 7.91959055e-09 -4.87910683e-09] [-1.22468980e-31 -7.91959055e-09 -4.87910683e-09] [ 4.87910683e-09 -1.22468980e-31 7.91959055e-09] [ 4.87910683e-09 -6.12344900e-32 -7.91959055e-09] [-4.87910683e-09 -1.22468980e-31 7.91959055e-09] [-4.87910683e-09 -1.22468980e-31 -7.91959055e-09] [ 7.91959055e-09 4.87910683e-09 -1.83703470e-31] [-7.91959055e-09 4.87910683e-09 -6.12344900e-32] [ 7.91959055e-09 -4.87910683e-09 -2.44937960e-31] [-7.91959055e-09 -4.87910683e-09 -3.06172450e-32] [ 7.07189947e-09 3.71656215e-10 5.26258828e-10] [-7.07189947e-09 -3.71656215e-10 5.26258828e-10] [-7.07189947e-09 3.71656215e-10 -5.26258828e-10] [ 7.07189947e-09 -3.71656215e-10 -5.26258828e-10] [ 5.26258828e-10 7.07189947e-09 3.71656215e-10] [ 5.26258828e-10 -7.07189947e-09 -3.71656215e-10] [-5.26258828e-10 -7.07189947e-09 3.71656215e-10] [-5.26258828e-10 7.07189947e-09 -3.71656215e-10] [ 3.71656215e-10 5.26258828e-10 7.07189947e-09] [-3.71656215e-10 5.26258828e-10 -7.07189947e-09] [ 3.71656215e-10 -5.26258828e-10 -7.07189947e-09] [-3.71656215e-10 -5.26258828e-10 7.07189947e-09] [ 7.07189947e-09 3.71656215e-10 5.26258828e-10] [-7.07189947e-09 -3.71656215e-10 5.26258828e-10] [-7.07189947e-09 3.71656215e-10 -5.26258828e-10] [ 7.07189947e-09 -3.71656215e-10 -5.26258828e-10] [ 5.26258828e-10 7.07189947e-09 3.71656215e-10] [ 5.26258828e-10 -7.07189947e-09 -3.71656215e-10] [-5.26258828e-10 -7.07189947e-09 3.71656215e-10] [-5.26258828e-10 7.07189947e-09 -3.71656215e-10] [ 3.71656215e-10 5.26258828e-10 7.07189947e-09] [-3.71656215e-10 5.26258828e-10 -7.07189947e-09] [ 3.71656215e-10 -5.26258828e-10 -7.07189947e-09] [-3.71656215e-10 -5.26258828e-10 7.07189947e-09] [ 7.07189947e-09 3.71656215e-10 5.26258828e-10] [-7.07189947e-09 -3.71656215e-10 5.26258828e-10] [-7.07189947e-09 3.71656215e-10 -5.26258828e-10] [ 7.07189947e-09 -3.71656215e-10 -5.26258828e-10] [ 5.26258828e-10 7.07189947e-09 3.71656215e-10] [ 5.26258828e-10 -7.07189947e-09 -3.71656215e-10] [-5.26258828e-10 -7.07189947e-09 3.71656215e-10] [-5.26258828e-10 7.07189947e-09 -3.71656215e-10] [ 3.71656215e-10 5.26258828e-10 7.07189947e-09] [-3.71656215e-10 5.26258828e-10 -7.07189947e-09] [ 3.71656215e-10 -5.26258828e-10 -7.07189947e-09] [-3.71656215e-10 -5.26258828e-10 7.07189947e-09] [ 7.07189947e-09 3.71656215e-10 5.26258828e-10] [-7.07189947e-09 -3.71656215e-10 5.26258828e-10] [-7.07189947e-09 3.71656215e-10 -5.26258828e-10] [ 7.07189947e-09 -3.71656215e-10 -5.26258828e-10] [ 5.26258828e-10 7.07189947e-09 3.71656215e-10] [ 5.26258828e-10 -7.07189947e-09 -3.71656215e-10] [-5.26258828e-10 -7.07189947e-09 3.71656215e-10] [-5.26258828e-10 7.07189947e-09 -3.71656215e-10] [ 3.71656215e-10 5.26258828e-10 7.07189947e-09] [-3.71656215e-10 5.26258828e-10 -7.07189947e-09] [ 3.71656215e-10 -5.26258828e-10 -7.07189947e-09] [-3.71656215e-10 -5.26258828e-10 7.07189947e-09] [-7.07189947e-09 -3.71656215e-10 -5.26258828e-10] [ 7.07189947e-09 3.71656215e-10 -5.26258828e-10] [ 7.07189947e-09 -3.71656215e-10 5.26258828e-10] [-7.07189947e-09 3.71656215e-10 5.26258828e-10] [-5.26258828e-10 -7.07189947e-09 -3.71656215e-10] [-5.26258828e-10 7.07189947e-09 3.71656215e-10] [ 5.26258828e-10 7.07189947e-09 -3.71656215e-10] [ 5.26258828e-10 -7.07189947e-09 3.71656215e-10] [-3.71656215e-10 -5.26258828e-10 -7.07189947e-09] [ 3.71656215e-10 -5.26258828e-10 7.07189947e-09] [-3.71656215e-10 5.26258828e-10 7.07189947e-09] [ 3.71656215e-10 5.26258828e-10 -7.07189947e-09] [-7.07189947e-09 -3.71656215e-10 -5.26258828e-10] [ 7.07189947e-09 3.71656215e-10 -5.26258828e-10] [ 7.07189947e-09 -3.71656215e-10 5.26258828e-10] [-7.07189947e-09 3.71656215e-10 5.26258828e-10] [-5.26258828e-10 -7.07189947e-09 -3.71656215e-10] [-5.26258828e-10 7.07189947e-09 3.71656215e-10] [ 5.26258828e-10 7.07189947e-09 -3.71656215e-10] [ 5.26258828e-10 -7.07189947e-09 3.71656215e-10] [-3.71656215e-10 -5.26258828e-10 -7.07189947e-09] [ 3.71656215e-10 -5.26258828e-10 7.07189947e-09] [-3.71656215e-10 5.26258828e-10 7.07189947e-09] [ 3.71656215e-10 5.26258828e-10 -7.07189947e-09] [-7.07189947e-09 -3.71656215e-10 -5.26258828e-10] [ 7.07189947e-09 3.71656215e-10 -5.26258828e-10] [ 7.07189947e-09 -3.71656215e-10 5.26258828e-10] [-7.07189947e-09 3.71656215e-10 5.26258828e-10] [-5.26258828e-10 -7.07189947e-09 -3.71656215e-10] [-5.26258828e-10 7.07189947e-09 3.71656215e-10] [ 5.26258828e-10 7.07189947e-09 -3.71656215e-10] [ 5.26258828e-10 -7.07189947e-09 3.71656215e-10] [-3.71656215e-10 -5.26258828e-10 -7.07189947e-09] [ 3.71656215e-10 -5.26258828e-10 7.07189947e-09] [-3.71656215e-10 5.26258828e-10 7.07189947e-09] [ 3.71656215e-10 5.26258828e-10 -7.07189947e-09] [-7.07189947e-09 -3.71656215e-10 -5.26258828e-10] [ 7.07189947e-09 3.71656215e-10 -5.26258828e-10] [ 7.07189947e-09 -3.71656215e-10 5.26258828e-10] [-7.07189947e-09 3.71656215e-10 5.26258828e-10] [-5.26258828e-10 -7.07189947e-09 -3.71656215e-10] [-5.26258828e-10 7.07189947e-09 3.71656215e-10] [ 5.26258828e-10 7.07189947e-09 -3.71656215e-10] [ 5.26258828e-10 -7.07189947e-09 3.71656215e-10] [-3.71656215e-10 -5.26258828e-10 -7.07189947e-09] [ 3.71656215e-10 -5.26258828e-10 7.07189947e-09] [-3.71656215e-10 5.26258828e-10 7.07189947e-09] [ 3.71656215e-10 5.26258828e-10 -7.07189947e-09] [-1.29983524e-10 -4.11097214e-09 -1.44313072e-09] [ 1.29983524e-10 4.11097214e-09 -1.44313072e-09] [ 1.29983524e-10 -4.11097214e-09 1.44313072e-09] [-1.29983524e-10 4.11097214e-09 1.44313072e-09] [-1.44313072e-09 -1.29983524e-10 -4.11097214e-09] [-1.44313072e-09 1.29983524e-10 4.11097214e-09] [ 1.44313072e-09 1.29983524e-10 -4.11097214e-09] [ 1.44313072e-09 -1.29983524e-10 4.11097214e-09] [-4.11097214e-09 -1.44313072e-09 -1.29983524e-10] [ 4.11097214e-09 -1.44313072e-09 1.29983524e-10] [-4.11097214e-09 1.44313072e-09 1.29983524e-10] [ 4.11097214e-09 1.44313072e-09 -1.29983524e-10] [-1.29983524e-10 -4.11097214e-09 -1.44313072e-09] [ 1.29983524e-10 4.11097214e-09 -1.44313072e-09] [ 1.29983524e-10 -4.11097214e-09 1.44313072e-09] [-1.29983524e-10 4.11097214e-09 1.44313072e-09] [-1.44313072e-09 -1.29983524e-10 -4.11097214e-09] [-1.44313072e-09 1.29983524e-10 4.11097214e-09] [ 1.44313072e-09 1.29983524e-10 -4.11097214e-09] [ 1.44313072e-09 -1.29983524e-10 4.11097214e-09] [-4.11097214e-09 -1.44313072e-09 -1.29983524e-10] [ 4.11097214e-09 -1.44313072e-09 1.29983524e-10] [-4.11097214e-09 1.44313072e-09 1.29983524e-10] [ 4.11097214e-09 1.44313072e-09 -1.29983524e-10] [-1.29983524e-10 -4.11097214e-09 -1.44313072e-09] [ 1.29983524e-10 4.11097214e-09 -1.44313072e-09] [ 1.29983524e-10 -4.11097214e-09 1.44313072e-09] [-1.29983524e-10 4.11097214e-09 1.44313072e-09] [-1.44313072e-09 -1.29983524e-10 -4.11097214e-09] [-1.44313072e-09 1.29983524e-10 4.11097214e-09] [ 1.44313072e-09 1.29983524e-10 -4.11097214e-09] [ 1.44313072e-09 -1.29983524e-10 4.11097214e-09] [-4.11097214e-09 -1.44313072e-09 -1.29983524e-10] [ 4.11097214e-09 -1.44313072e-09 1.29983524e-10] [-4.11097214e-09 1.44313072e-09 1.29983524e-10] [ 4.11097214e-09 1.44313072e-09 -1.29983524e-10] [-1.29983524e-10 -4.11097214e-09 -1.44313072e-09] [ 1.29983524e-10 4.11097214e-09 -1.44313072e-09] [ 1.29983524e-10 -4.11097214e-09 1.44313072e-09] [-1.29983524e-10 4.11097214e-09 1.44313072e-09] [-1.44313072e-09 -1.29983524e-10 -4.11097214e-09] [-1.44313072e-09 1.29983524e-10 4.11097214e-09] [ 1.44313072e-09 1.29983524e-10 -4.11097214e-09] [ 1.44313072e-09 -1.29983524e-10 4.11097214e-09] [-4.11097214e-09 -1.44313072e-09 -1.29983524e-10] [ 4.11097214e-09 -1.44313072e-09 1.29983524e-10] [-4.11097214e-09 1.44313072e-09 1.29983524e-10] [ 4.11097214e-09 1.44313072e-09 -1.29983524e-10] [ 1.29983524e-10 4.11097214e-09 1.44313072e-09] [-1.29983524e-10 -4.11097214e-09 1.44313072e-09] [-1.29983524e-10 4.11097214e-09 -1.44313072e-09] [ 1.29983524e-10 -4.11097214e-09 -1.44313072e-09] [ 1.44313072e-09 1.29983524e-10 4.11097214e-09] [ 1.44313072e-09 -1.29983524e-10 -4.11097214e-09] [-1.44313072e-09 -1.29983524e-10 4.11097214e-09] [-1.44313072e-09 1.29983524e-10 -4.11097214e-09] [ 4.11097214e-09 1.44313072e-09 1.29983524e-10] [-4.11097214e-09 1.44313072e-09 -1.29983524e-10] [ 4.11097214e-09 -1.44313072e-09 -1.29983524e-10] [-4.11097214e-09 -1.44313072e-09 1.29983524e-10] [ 1.29983524e-10 4.11097214e-09 1.44313072e-09] [-1.29983524e-10 -4.11097214e-09 1.44313072e-09] [-1.29983524e-10 4.11097214e-09 -1.44313072e-09] [ 1.29983524e-10 -4.11097214e-09 -1.44313072e-09] [ 1.44313072e-09 1.29983524e-10 4.11097214e-09] [ 1.44313072e-09 -1.29983524e-10 -4.11097214e-09] [-1.44313072e-09 -1.29983524e-10 4.11097214e-09] [-1.44313072e-09 1.29983524e-10 -4.11097214e-09] [ 4.11097214e-09 1.44313072e-09 1.29983524e-10] [-4.11097214e-09 1.44313072e-09 -1.29983524e-10] [ 4.11097214e-09 -1.44313072e-09 -1.29983524e-10] [-4.11097214e-09 -1.44313072e-09 1.29983524e-10] [ 1.29983524e-10 4.11097214e-09 1.44313072e-09] [-1.29983524e-10 -4.11097214e-09 1.44313072e-09] [-1.29983524e-10 4.11097214e-09 -1.44313072e-09] [ 1.29983524e-10 -4.11097214e-09 -1.44313072e-09] [ 1.44313072e-09 1.29983524e-10 4.11097214e-09] [ 1.44313072e-09 -1.29983524e-10 -4.11097214e-09] [-1.44313072e-09 -1.29983524e-10 4.11097214e-09] [-1.44313072e-09 1.29983524e-10 -4.11097214e-09] [ 4.11097214e-09 1.44313072e-09 1.29983524e-10] [-4.11097214e-09 1.44313072e-09 -1.29983524e-10] [ 4.11097214e-09 -1.44313072e-09 -1.29983524e-10] [-4.11097214e-09 -1.44313072e-09 1.29983524e-10] [ 1.29983524e-10 4.11097214e-09 1.44313072e-09] [-1.29983524e-10 -4.11097214e-09 1.44313072e-09] [-1.29983524e-10 4.11097214e-09 -1.44313072e-09] [ 1.29983524e-10 -4.11097214e-09 -1.44313072e-09] [ 1.44313072e-09 1.29983524e-10 4.11097214e-09] [ 1.44313072e-09 -1.29983524e-10 -4.11097214e-09] [-1.44313072e-09 -1.29983524e-10 4.11097214e-09] [-1.44313072e-09 1.29983524e-10 -4.11097214e-09] [ 4.11097214e-09 1.44313072e-09 1.29983524e-10] [-4.11097214e-09 1.44313072e-09 -1.29983524e-10] [ 4.11097214e-09 -1.44313072e-09 -1.29983524e-10] [-4.11097214e-09 -1.44313072e-09 1.29983524e-10]] stress = [-1.13836394e-10 -1.13836394e-10 -1.13836394e-10 0.00000000e+00 0.00000000e+00 -9.78251189e-65] energy per atom = -6.78298643750293 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0