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: EDIP_LAMMPS_JiangMorganSzlufarska_2012_SiC__MO_667792548433_000 ==== 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 15:06:09 -1675.249213 2.068026 BFGS: 1 15:06:09 -1685.489866 1.828802 BFGS: 2 15:06:10 -1699.226599 1.399190 BFGS: 3 15:06:10 -1709.223818 0.967807 BFGS: 4 15:06:10 -1715.479255 0.536087 BFGS: 5 15:06:10 -1718.036415 0.352930 BFGS: 6 15:06:10 -1718.141619 0.324776 BFGS: 7 15:06:10 -1718.222172 0.007440 BFGS: 8 15:06:11 -1718.222253 0.005458 BFGS: 9 15:06:11 -1718.222311 0.006222 BFGS: 10 15:06:11 -1718.223451 0.018549 BFGS: 11 15:06:11 -1718.205963 0.251148 BFGS: 12 15:06:12 -1718.229479 0.061633 BFGS: 13 15:06:12 -1718.243293 0.098576 BFGS: 14 15:06:13 -1718.327536 0.172622 BFGS: 15 15:06:13 -1717.720655 0.559365 BFGS: 16 15:06:13 -1718.350948 0.172493 BFGS: 17 15:06:14 -1718.368493 0.172228 BFGS: 18 15:06:14 -1718.387871 0.235066 BFGS: 19 15:06:14 -1718.465438 0.127586 BFGS: 20 15:06:15 -1718.489122 0.099144 BFGS: 21 15:06:15 -1718.521823 0.021771 BFGS: 22 15:06:15 -1718.522390 0.014235 BFGS: 23 15:06:15 -1718.522890 0.005605 BFGS: 24 15:06:16 -1718.523053 0.003980 BFGS: 25 15:06:16 -1718.523118 0.001685 BFGS: 26 15:06:16 -1718.523125 0.000787 BFGS: 27 15:06:16 -1718.523126 0.000304 BFGS: 28 15:06:17 -1718.523127 0.000064 BFGS: 29 15:06:17 -1718.523127 0.000015 BFGS: 30 15:06:17 -1718.523127 0.000005 BFGS: 31 15:06:17 -1718.523127 0.000002 BFGS: 32 15:06:17 -1718.523127 0.000001 BFGS: 33 15:06:18 -1718.523127 0.000000 BFGS: 34 15:06:18 -1718.523127 0.000000 BFGS: 35 15:06:18 -1718.523127 0.000000 BFGS: 36 15:06:18 -1718.523127 0.000000 Minimization converged after 36 steps. Maximum force component: 6.980900913214876e-09 eV/Angstrom Maximum stress component: 3.8138476561121454e-11 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 5.01789403e-02 7.48766289e-01] [0.00000000e+00 9.49821060e-01 7.48766289e-01] [0.00000000e+00 5.01789403e-02 2.51233711e-01] [3.81773696e-36 9.49821060e-01 2.51233711e-01] [7.48766289e-01 1.00000000e+00 5.01789403e-02] [7.48766289e-01 1.00000000e+00 9.49821060e-01] [2.51233711e-01 1.00000000e+00 5.01789403e-02] [2.51233711e-01 1.00000000e+00 9.49821060e-01] [5.01789403e-02 7.48766289e-01 7.34682056e-37] [9.49821060e-01 7.48766289e-01 0.00000000e+00] [5.01789403e-02 2.51233711e-01 6.43169742e-36] [9.49821060e-01 2.51233711e-01 2.95490048e-36] [0.00000000e+00 5.50178940e-01 2.48766289e-01] [8.69574947e-36 4.49821060e-01 2.48766289e-01] [9.45608703e-36 5.50178940e-01 7.51233711e-01] [0.00000000e+00 4.49821060e-01 7.51233711e-01] [7.48766289e-01 5.00000000e-01 5.50178940e-01] [7.48766289e-01 5.00000000e-01 4.49821060e-01] [2.51233711e-01 5.00000000e-01 5.50178940e-01] [2.51233711e-01 5.00000000e-01 4.49821060e-01] [5.01789403e-02 2.48766289e-01 5.00000000e-01] [9.49821060e-01 2.48766289e-01 5.00000000e-01] [5.01789403e-02 7.51233711e-01 5.00000000e-01] [9.49821060e-01 7.51233711e-01 5.00000000e-01] [5.00000000e-01 5.01789403e-02 2.48766289e-01] [5.00000000e-01 9.49821060e-01 2.48766289e-01] [5.00000000e-01 5.01789403e-02 7.51233711e-01] [5.00000000e-01 9.49821060e-01 7.51233711e-01] [2.48766289e-01 1.00000000e+00 5.50178940e-01] [2.48766289e-01 1.00000000e+00 4.49821060e-01] [7.51233711e-01 1.00000000e+00 5.50178940e-01] [7.51233711e-01 1.00000000e+00 4.49821060e-01] [5.50178940e-01 7.48766289e-01 5.00000000e-01] [4.49821060e-01 7.48766289e-01 5.00000000e-01] [5.50178940e-01 2.51233711e-01 5.00000000e-01] [4.49821060e-01 2.51233711e-01 5.00000000e-01] [5.00000000e-01 5.50178940e-01 7.48766289e-01] [5.00000000e-01 4.49821060e-01 7.48766289e-01] [5.00000000e-01 5.50178940e-01 2.51233711e-01] [5.00000000e-01 4.49821060e-01 2.51233711e-01] [2.48766289e-01 5.00000000e-01 5.01789403e-02] [2.48766289e-01 5.00000000e-01 9.49821060e-01] [7.51233711e-01 5.00000000e-01 5.01789403e-02] [7.51233711e-01 5.00000000e-01 9.49821060e-01] [5.50178940e-01 2.48766289e-01 3.29136505e-37] [4.49821060e-01 2.48766289e-01 0.00000000e+00] [5.50178940e-01 7.51233711e-01 0.00000000e+00] [4.49821060e-01 7.51233711e-01 2.87261564e-36] [6.01588775e-01 7.86625927e-01 5.79895245e-01] [3.98411225e-01 2.13374073e-01 5.79895245e-01] [3.98411225e-01 7.86625927e-01 4.20104755e-01] [6.01588775e-01 2.13374073e-01 4.20104755e-01] [5.79895245e-01 6.01588775e-01 7.86625927e-01] [5.79895245e-01 3.98411225e-01 2.13374073e-01] [4.20104755e-01 3.98411225e-01 7.86625927e-01] [4.20104755e-01 6.01588775e-01 2.13374073e-01] [7.86625927e-01 5.79895245e-01 6.01588775e-01] [2.13374073e-01 5.79895245e-01 3.98411225e-01] [7.86625927e-01 4.20104755e-01 3.98411225e-01] [2.13374073e-01 4.20104755e-01 6.01588775e-01] [6.01588775e-01 2.86625927e-01 7.98952453e-02] [3.98411225e-01 7.13374073e-01 7.98952453e-02] [3.98411225e-01 2.86625927e-01 9.20104755e-01] [6.01588775e-01 7.13374073e-01 9.20104755e-01] [5.79895245e-01 1.01588775e-01 2.86625927e-01] [5.79895245e-01 8.98411225e-01 7.13374073e-01] [4.20104755e-01 8.98411225e-01 2.86625927e-01] [4.20104755e-01 1.01588775e-01 7.13374073e-01] [7.86625927e-01 7.98952453e-02 1.01588775e-01] [2.13374073e-01 7.98952453e-02 8.98411225e-01] [7.86625927e-01 9.20104755e-01 8.98411225e-01] [2.13374073e-01 9.20104755e-01 1.01588775e-01] [1.01588775e-01 7.86625927e-01 7.98952453e-02] [8.98411225e-01 2.13374073e-01 7.98952453e-02] [8.98411225e-01 7.86625927e-01 9.20104755e-01] [1.01588775e-01 2.13374073e-01 9.20104755e-01] [7.98952453e-02 6.01588775e-01 2.86625927e-01] [7.98952453e-02 3.98411225e-01 7.13374073e-01] [9.20104755e-01 3.98411225e-01 2.86625927e-01] [9.20104755e-01 6.01588775e-01 7.13374073e-01] [2.86625927e-01 5.79895245e-01 1.01588775e-01] [7.13374073e-01 5.79895245e-01 8.98411225e-01] [2.86625927e-01 4.20104755e-01 8.98411225e-01] [7.13374073e-01 4.20104755e-01 1.01588775e-01] [1.01588775e-01 2.86625927e-01 5.79895245e-01] [8.98411225e-01 7.13374073e-01 5.79895245e-01] [8.98411225e-01 2.86625927e-01 4.20104755e-01] [1.01588775e-01 7.13374073e-01 4.20104755e-01] [7.98952453e-02 1.01588775e-01 7.86625927e-01] [7.98952453e-02 8.98411225e-01 2.13374073e-01] [9.20104755e-01 8.98411225e-01 7.86625927e-01] [9.20104755e-01 1.01588775e-01 2.13374073e-01] [2.86625927e-01 7.98952453e-02 6.01588775e-01] [7.13374073e-01 7.98952453e-02 3.98411225e-01] [2.86625927e-01 9.20104755e-01 3.98411225e-01] [7.13374073e-01 9.20104755e-01 6.01588775e-01] [3.98411225e-01 2.13374073e-01 4.20104755e-01] [6.01588775e-01 7.86625927e-01 4.20104755e-01] [6.01588775e-01 2.13374073e-01 5.79895245e-01] [3.98411225e-01 7.86625927e-01 5.79895245e-01] [4.20104755e-01 3.98411225e-01 2.13374073e-01] [4.20104755e-01 6.01588775e-01 7.86625927e-01] [5.79895245e-01 6.01588775e-01 2.13374073e-01] [5.79895245e-01 3.98411225e-01 7.86625927e-01] [2.13374073e-01 4.20104755e-01 3.98411225e-01] [7.86625927e-01 4.20104755e-01 6.01588775e-01] [2.13374073e-01 5.79895245e-01 6.01588775e-01] [7.86625927e-01 5.79895245e-01 3.98411225e-01] [3.98411225e-01 7.13374073e-01 9.20104755e-01] [6.01588775e-01 2.86625927e-01 9.20104755e-01] [6.01588775e-01 7.13374073e-01 7.98952453e-02] [3.98411225e-01 2.86625927e-01 7.98952453e-02] [4.20104755e-01 8.98411225e-01 7.13374073e-01] [4.20104755e-01 1.01588775e-01 2.86625927e-01] [5.79895245e-01 1.01588775e-01 7.13374073e-01] [5.79895245e-01 8.98411225e-01 2.86625927e-01] [2.13374073e-01 9.20104755e-01 8.98411225e-01] [7.86625927e-01 9.20104755e-01 1.01588775e-01] [2.13374073e-01 7.98952453e-02 1.01588775e-01] [7.86625927e-01 7.98952453e-02 8.98411225e-01] [8.98411225e-01 2.13374073e-01 9.20104755e-01] [1.01588775e-01 7.86625927e-01 9.20104755e-01] [1.01588775e-01 2.13374073e-01 7.98952453e-02] [8.98411225e-01 7.86625927e-01 7.98952453e-02] [9.20104755e-01 3.98411225e-01 7.13374073e-01] [9.20104755e-01 6.01588775e-01 2.86625927e-01] [7.98952453e-02 6.01588775e-01 7.13374073e-01] [7.98952453e-02 3.98411225e-01 2.86625927e-01] [7.13374073e-01 4.20104755e-01 8.98411225e-01] [2.86625927e-01 4.20104755e-01 1.01588775e-01] [7.13374073e-01 5.79895245e-01 1.01588775e-01] [2.86625927e-01 5.79895245e-01 8.98411225e-01] [8.98411225e-01 7.13374073e-01 4.20104755e-01] [1.01588775e-01 2.86625927e-01 4.20104755e-01] [1.01588775e-01 7.13374073e-01 5.79895245e-01] [8.98411225e-01 2.86625927e-01 5.79895245e-01] [9.20104755e-01 8.98411225e-01 2.13374073e-01] [9.20104755e-01 1.01588775e-01 7.86625927e-01] [7.98952453e-02 1.01588775e-01 2.13374073e-01] [7.98952453e-02 8.98411225e-01 7.86625927e-01] [7.13374073e-01 9.20104755e-01 3.98411225e-01] [2.86625927e-01 9.20104755e-01 6.01588775e-01] [7.13374073e-01 7.98952453e-02 6.01588775e-01] [2.86625927e-01 7.98952453e-02 3.98411225e-01] [6.85254208e-01 3.37740615e-01 5.14627760e-02] [3.14745792e-01 6.62259385e-01 5.14627760e-02] [3.14745792e-01 3.37740615e-01 9.48537224e-01] [6.85254208e-01 6.62259385e-01 9.48537224e-01] [5.14627760e-02 6.85254208e-01 3.37740615e-01] [5.14627760e-02 3.14745792e-01 6.62259385e-01] [9.48537224e-01 3.14745792e-01 3.37740615e-01] [9.48537224e-01 6.85254208e-01 6.62259385e-01] [3.37740615e-01 5.14627760e-02 6.85254208e-01] [6.62259385e-01 5.14627760e-02 3.14745792e-01] [3.37740615e-01 9.48537224e-01 3.14745792e-01] [6.62259385e-01 9.48537224e-01 6.85254208e-01] [6.85254208e-01 8.37740615e-01 5.51462776e-01] [3.14745792e-01 1.62259385e-01 5.51462776e-01] [3.14745792e-01 8.37740615e-01 4.48537224e-01] [6.85254208e-01 1.62259385e-01 4.48537224e-01] [5.14627760e-02 1.85254208e-01 8.37740615e-01] [5.14627760e-02 8.14745792e-01 1.62259385e-01] [9.48537224e-01 8.14745792e-01 8.37740615e-01] [9.48537224e-01 1.85254208e-01 1.62259385e-01] [3.37740615e-01 5.51462776e-01 1.85254208e-01] [6.62259385e-01 5.51462776e-01 8.14745792e-01] [3.37740615e-01 4.48537224e-01 8.14745792e-01] [6.62259385e-01 4.48537224e-01 1.85254208e-01] [1.85254208e-01 3.37740615e-01 5.51462776e-01] [8.14745792e-01 6.62259385e-01 5.51462776e-01] [8.14745792e-01 3.37740615e-01 4.48537224e-01] [1.85254208e-01 6.62259385e-01 4.48537224e-01] [5.51462776e-01 6.85254208e-01 8.37740615e-01] [5.51462776e-01 3.14745792e-01 1.62259385e-01] [4.48537224e-01 3.14745792e-01 8.37740615e-01] [4.48537224e-01 6.85254208e-01 1.62259385e-01] [8.37740615e-01 5.14627760e-02 1.85254208e-01] [1.62259385e-01 5.14627760e-02 8.14745792e-01] [8.37740615e-01 9.48537224e-01 8.14745792e-01] [1.62259385e-01 9.48537224e-01 1.85254208e-01] [1.85254208e-01 8.37740615e-01 5.14627760e-02] [8.14745792e-01 1.62259385e-01 5.14627760e-02] [8.14745792e-01 8.37740615e-01 9.48537224e-01] [1.85254208e-01 1.62259385e-01 9.48537224e-01] [5.51462776e-01 1.85254208e-01 3.37740615e-01] [5.51462776e-01 8.14745792e-01 6.62259385e-01] [4.48537224e-01 8.14745792e-01 3.37740615e-01] [4.48537224e-01 1.85254208e-01 6.62259385e-01] [8.37740615e-01 5.51462776e-01 6.85254208e-01] [1.62259385e-01 5.51462776e-01 3.14745792e-01] [8.37740615e-01 4.48537224e-01 3.14745792e-01] [1.62259385e-01 4.48537224e-01 6.85254208e-01] [3.14745792e-01 6.62259385e-01 9.48537224e-01] [6.85254208e-01 3.37740615e-01 9.48537224e-01] [6.85254208e-01 6.62259385e-01 5.14627760e-02] [3.14745792e-01 3.37740615e-01 5.14627760e-02] [9.48537224e-01 3.14745792e-01 6.62259385e-01] [9.48537224e-01 6.85254208e-01 3.37740615e-01] [5.14627760e-02 6.85254208e-01 6.62259385e-01] [5.14627760e-02 3.14745792e-01 3.37740615e-01] [6.62259385e-01 9.48537224e-01 3.14745792e-01] [3.37740615e-01 9.48537224e-01 6.85254208e-01] [6.62259385e-01 5.14627760e-02 6.85254208e-01] [3.37740615e-01 5.14627760e-02 3.14745792e-01] [3.14745792e-01 1.62259385e-01 4.48537224e-01] [6.85254208e-01 8.37740615e-01 4.48537224e-01] [6.85254208e-01 1.62259385e-01 5.51462776e-01] [3.14745792e-01 8.37740615e-01 5.51462776e-01] [9.48537224e-01 8.14745792e-01 1.62259385e-01] [9.48537224e-01 1.85254208e-01 8.37740615e-01] [5.14627760e-02 1.85254208e-01 1.62259385e-01] [5.14627760e-02 8.14745792e-01 8.37740615e-01] [6.62259385e-01 4.48537224e-01 8.14745792e-01] [3.37740615e-01 4.48537224e-01 1.85254208e-01] [6.62259385e-01 5.51462776e-01 1.85254208e-01] [3.37740615e-01 5.51462776e-01 8.14745792e-01] [8.14745792e-01 6.62259385e-01 4.48537224e-01] [1.85254208e-01 3.37740615e-01 4.48537224e-01] [1.85254208e-01 6.62259385e-01 5.51462776e-01] [8.14745792e-01 3.37740615e-01 5.51462776e-01] [4.48537224e-01 3.14745792e-01 1.62259385e-01] [4.48537224e-01 6.85254208e-01 8.37740615e-01] [5.51462776e-01 6.85254208e-01 1.62259385e-01] [5.51462776e-01 3.14745792e-01 8.37740615e-01] [1.62259385e-01 9.48537224e-01 8.14745792e-01] [8.37740615e-01 9.48537224e-01 1.85254208e-01] [1.62259385e-01 5.14627760e-02 1.85254208e-01] [8.37740615e-01 5.14627760e-02 8.14745792e-01] [8.14745792e-01 1.62259385e-01 9.48537224e-01] [1.85254208e-01 8.37740615e-01 9.48537224e-01] [1.85254208e-01 1.62259385e-01 5.14627760e-02] [8.14745792e-01 8.37740615e-01 5.14627760e-02] [4.48537224e-01 8.14745792e-01 6.62259385e-01] [4.48537224e-01 1.85254208e-01 3.37740615e-01] [5.51462776e-01 1.85254208e-01 6.62259385e-01] [5.51462776e-01 8.14745792e-01 3.37740615e-01] [1.62259385e-01 4.48537224e-01 3.14745792e-01] [8.37740615e-01 4.48537224e-01 6.85254208e-01] [1.62259385e-01 5.51462776e-01 6.85254208e-01] [8.37740615e-01 5.51462776e-01 3.14745792e-01]] cellpar = Cell([[14.91752412380397, -2.6711150651302293e-37, 0.0], [-1.7147806786578795e-37, 14.91752412380397, 0.0], [0.0, 0.0, 14.91752412380397]]) forces = [[ 8.02459839e-47 -6.98090091e-09 -1.64718743e-09] [-8.02459839e-47 6.98090091e-09 -1.64718743e-09] [ 8.02459839e-47 -6.98090091e-09 1.64718743e-09] [-8.02459839e-47 6.98090091e-09 1.64718743e-09] [-1.64718743e-09 2.94943525e-47 -6.98090091e-09] [-1.64718743e-09 2.94943525e-47 6.98090091e-09] [ 1.64718743e-09 -2.94943525e-47 -6.98090091e-09] [ 1.64718743e-09 -2.94943525e-47 6.98090091e-09] [-6.98090091e-09 -1.64718743e-09 0.00000000e+00] [ 6.98090091e-09 -1.64718743e-09 0.00000000e+00] [-6.98090091e-09 1.64718743e-09 3.06454468e-32] [ 6.98090091e-09 1.64718743e-09 0.00000000e+00] [ 8.02459839e-47 -6.98090091e-09 -1.64718743e-09] [-8.02459839e-47 6.98090091e-09 -1.64718743e-09] [ 8.02459839e-47 -6.98090091e-09 1.64718743e-09] [-8.02459839e-47 6.98090091e-09 1.64718743e-09] [-1.64718743e-09 2.94943525e-47 -6.98090091e-09] [-1.64718743e-09 2.94943525e-47 6.98090091e-09] [ 1.64718743e-09 -2.94943525e-47 -6.98090091e-09] [ 1.64718743e-09 -2.94943525e-47 6.98090091e-09] [-6.98090091e-09 -1.64718743e-09 0.00000000e+00] [ 6.98090091e-09 -1.64718743e-09 0.00000000e+00] [-6.98090091e-09 1.64718743e-09 0.00000000e+00] [ 6.98090091e-09 1.64718743e-09 0.00000000e+00] [ 1.53227234e-32 -6.98090091e-09 -1.64718743e-09] [-7.66136171e-33 6.98090091e-09 -1.64718743e-09] [ 8.02459839e-47 -6.98090091e-09 1.64718743e-09] [-7.66136171e-33 6.98090091e-09 1.64718743e-09] [-1.64718743e-09 2.94943525e-47 -6.98090091e-09] [-1.64718743e-09 2.94943525e-47 6.98090091e-09] [ 1.64718743e-09 -2.94943525e-47 -6.98090091e-09] [ 1.64718743e-09 -2.94943525e-47 6.98090091e-09] [-6.98090091e-09 -1.64718743e-09 0.00000000e+00] [ 6.98090091e-09 -1.64718743e-09 0.00000000e+00] [-6.98090091e-09 1.64718743e-09 0.00000000e+00] [ 6.98090091e-09 1.64718743e-09 0.00000000e+00] [ 8.02459839e-47 -6.98090091e-09 -1.64718743e-09] [ 7.66136171e-33 6.98090091e-09 -1.64718743e-09] [-3.83068085e-33 -6.98090091e-09 1.64718743e-09] [-8.02459839e-47 6.98090091e-09 1.64718743e-09] [-1.64718743e-09 2.94943525e-47 -6.98090091e-09] [-1.64718743e-09 2.94943525e-47 6.98090091e-09] [ 1.64718743e-09 -2.94943525e-47 -6.98090091e-09] [ 1.64718743e-09 -2.94943525e-47 6.98090091e-09] [-6.98090091e-09 -1.64718743e-09 0.00000000e+00] [ 6.98090091e-09 -1.64718743e-09 0.00000000e+00] [-6.98090091e-09 1.64718743e-09 0.00000000e+00] [ 6.98090091e-09 1.64718743e-09 0.00000000e+00] [ 2.92527935e-09 8.29318403e-10 9.61008235e-10] [-2.92527935e-09 -8.29318403e-10 9.61008235e-10] [-2.92527935e-09 8.29318403e-10 -9.61008235e-10] [ 2.92527935e-09 -8.29318403e-10 -9.61008235e-10] [ 9.61008235e-10 2.92527935e-09 8.29318403e-10] [ 9.61008235e-10 -2.92527935e-09 -8.29318403e-10] [-9.61008235e-10 -2.92527935e-09 8.29318403e-10] [-9.61008235e-10 2.92527935e-09 -8.29318403e-10] [ 8.29318403e-10 9.61008235e-10 2.92527935e-09] [-8.29318403e-10 9.61008235e-10 -2.92527935e-09] [ 8.29318403e-10 -9.61008235e-10 -2.92527935e-09] [-8.29318403e-10 -9.61008235e-10 2.92527935e-09] [ 2.92527935e-09 8.29318403e-10 9.61008235e-10] [-2.92527935e-09 -8.29318403e-10 9.61008235e-10] [-2.92527935e-09 8.29318403e-10 -9.61008235e-10] [ 2.92527935e-09 -8.29318403e-10 -9.61008235e-10] [ 9.61008235e-10 2.92527935e-09 8.29318403e-10] [ 9.61008235e-10 -2.92527935e-09 -8.29318403e-10] [-9.61008235e-10 -2.92527935e-09 8.29318403e-10] [-9.61008235e-10 2.92527935e-09 -8.29318403e-10] [ 8.29318403e-10 9.61008235e-10 2.92527935e-09] [-8.29318403e-10 9.61008235e-10 -2.92527935e-09] [ 8.29318403e-10 -9.61008235e-10 -2.92527935e-09] [-8.29318403e-10 -9.61008235e-10 2.92527935e-09] [ 2.92527935e-09 8.29318403e-10 9.61008235e-10] [-2.92527935e-09 -8.29318403e-10 9.61008235e-10] [-2.92527935e-09 8.29318403e-10 -9.61008235e-10] [ 2.92527935e-09 -8.29318403e-10 -9.61008235e-10] [ 9.61008235e-10 2.92527935e-09 8.29318403e-10] [ 9.61008235e-10 -2.92527935e-09 -8.29318403e-10] [-9.61008235e-10 -2.92527935e-09 8.29318403e-10] [-9.61008235e-10 2.92527935e-09 -8.29318403e-10] [ 8.29318403e-10 9.61008235e-10 2.92527935e-09] [-8.29318403e-10 9.61008235e-10 -2.92527935e-09] [ 8.29318403e-10 -9.61008235e-10 -2.92527935e-09] [-8.29318403e-10 -9.61008235e-10 2.92527935e-09] [ 2.92527935e-09 8.29318403e-10 9.61008235e-10] [-2.92527935e-09 -8.29318403e-10 9.61008235e-10] [-2.92527935e-09 8.29318403e-10 -9.61008235e-10] [ 2.92527935e-09 -8.29318403e-10 -9.61008235e-10] [ 9.61008235e-10 2.92527935e-09 8.29318403e-10] [ 9.61008235e-10 -2.92527935e-09 -8.29318403e-10] [-9.61008235e-10 -2.92527935e-09 8.29318403e-10] [-9.61008235e-10 2.92527935e-09 -8.29318403e-10] [ 8.29318403e-10 9.61008235e-10 2.92527935e-09] [-8.29318403e-10 9.61008235e-10 -2.92527935e-09] [ 8.29318403e-10 -9.61008235e-10 -2.92527935e-09] [-8.29318403e-10 -9.61008235e-10 2.92527935e-09] [-2.92527935e-09 -8.29318403e-10 -9.61008235e-10] [ 2.92527935e-09 8.29318403e-10 -9.61008235e-10] [ 2.92527935e-09 -8.29318403e-10 9.61008235e-10] [-2.92527935e-09 8.29318403e-10 9.61008235e-10] [-9.61008235e-10 -2.92527935e-09 -8.29318403e-10] [-9.61008235e-10 2.92527935e-09 8.29318403e-10] [ 9.61008235e-10 2.92527935e-09 -8.29318403e-10] [ 9.61008235e-10 -2.92527935e-09 8.29318403e-10] [-8.29318403e-10 -9.61008235e-10 -2.92527935e-09] [ 8.29318403e-10 -9.61008235e-10 2.92527935e-09] [-8.29318403e-10 9.61008235e-10 2.92527935e-09] [ 8.29318403e-10 9.61008235e-10 -2.92527935e-09] [-2.92527935e-09 -8.29318403e-10 -9.61008235e-10] [ 2.92527935e-09 8.29318403e-10 -9.61008235e-10] [ 2.92527935e-09 -8.29318403e-10 9.61008235e-10] [-2.92527935e-09 8.29318403e-10 9.61008235e-10] [-9.61008235e-10 -2.92527935e-09 -8.29318403e-10] [-9.61008235e-10 2.92527935e-09 8.29318403e-10] [ 9.61008235e-10 2.92527935e-09 -8.29318403e-10] [ 9.61008235e-10 -2.92527935e-09 8.29318403e-10] [-8.29318403e-10 -9.61008235e-10 -2.92527935e-09] [ 8.29318403e-10 -9.61008235e-10 2.92527935e-09] [-8.29318403e-10 9.61008235e-10 2.92527935e-09] [ 8.29318403e-10 9.61008235e-10 -2.92527935e-09] [-2.92527935e-09 -8.29318403e-10 -9.61008235e-10] [ 2.92527935e-09 8.29318403e-10 -9.61008235e-10] [ 2.92527935e-09 -8.29318403e-10 9.61008235e-10] [-2.92527935e-09 8.29318403e-10 9.61008235e-10] [-9.61008235e-10 -2.92527935e-09 -8.29318403e-10] [-9.61008235e-10 2.92527935e-09 8.29318403e-10] [ 9.61008235e-10 2.92527935e-09 -8.29318403e-10] [ 9.61008235e-10 -2.92527935e-09 8.29318403e-10] [-8.29318403e-10 -9.61008235e-10 -2.92527935e-09] [ 8.29318403e-10 -9.61008235e-10 2.92527935e-09] [-8.29318403e-10 9.61008235e-10 2.92527935e-09] [ 8.29318403e-10 9.61008235e-10 -2.92527935e-09] [-2.92527935e-09 -8.29318403e-10 -9.61008235e-10] [ 2.92527935e-09 8.29318403e-10 -9.61008235e-10] [ 2.92527935e-09 -8.29318403e-10 9.61008235e-10] [-2.92527935e-09 8.29318403e-10 9.61008235e-10] [-9.61008235e-10 -2.92527935e-09 -8.29318403e-10] [-9.61008235e-10 2.92527935e-09 8.29318403e-10] [ 9.61008235e-10 2.92527935e-09 -8.29318403e-10] [ 9.61008235e-10 -2.92527935e-09 8.29318403e-10] [-8.29318403e-10 -9.61008235e-10 -2.92527935e-09] [ 8.29318403e-10 -9.61008235e-10 2.92527935e-09] [-8.29318403e-10 9.61008235e-10 2.92527935e-09] [ 8.29318403e-10 9.61008235e-10 -2.92527935e-09] [-3.65501486e-10 -3.84098634e-10 8.13005927e-10] [ 3.65501486e-10 3.84098634e-10 8.13005927e-10] [ 3.65501486e-10 -3.84098634e-10 -8.13005927e-10] [-3.65501486e-10 3.84098634e-10 -8.13005927e-10] [ 8.13005927e-10 -3.65501486e-10 -3.84098634e-10] [ 8.13005927e-10 3.65501486e-10 3.84098634e-10] [-8.13005927e-10 3.65501486e-10 -3.84098634e-10] [-8.13005927e-10 -3.65501486e-10 3.84098634e-10] [-3.84098634e-10 8.13005927e-10 -3.65501486e-10] [ 3.84098634e-10 8.13005927e-10 3.65501486e-10] [-3.84098634e-10 -8.13005927e-10 3.65501486e-10] [ 3.84098634e-10 -8.13005927e-10 -3.65501486e-10] [-3.65501486e-10 -3.84098634e-10 8.13005927e-10] [ 3.65501486e-10 3.84098634e-10 8.13005927e-10] [ 3.65501486e-10 -3.84098634e-10 -8.13005927e-10] [-3.65501486e-10 3.84098634e-10 -8.13005927e-10] [ 8.13005927e-10 -3.65501486e-10 -3.84098634e-10] [ 8.13005927e-10 3.65501486e-10 3.84098634e-10] [-8.13005927e-10 3.65501486e-10 -3.84098634e-10] [-8.13005927e-10 -3.65501486e-10 3.84098634e-10] [-3.84098634e-10 8.13005927e-10 -3.65501486e-10] [ 3.84098634e-10 8.13005927e-10 3.65501486e-10] [-3.84098634e-10 -8.13005927e-10 3.65501486e-10] [ 3.84098634e-10 -8.13005927e-10 -3.65501486e-10] [-3.65501486e-10 -3.84098634e-10 8.13005927e-10] [ 3.65501486e-10 3.84098634e-10 8.13005927e-10] [ 3.65501486e-10 -3.84098634e-10 -8.13005927e-10] [-3.65501486e-10 3.84098634e-10 -8.13005927e-10] [ 8.13005927e-10 -3.65501486e-10 -3.84098634e-10] [ 8.13005927e-10 3.65501486e-10 3.84098634e-10] [-8.13005927e-10 3.65501486e-10 -3.84098634e-10] [-8.13005927e-10 -3.65501486e-10 3.84098634e-10] [-3.84098634e-10 8.13005927e-10 -3.65501486e-10] [ 3.84098634e-10 8.13005927e-10 3.65501486e-10] [-3.84098634e-10 -8.13005927e-10 3.65501486e-10] [ 3.84098634e-10 -8.13005927e-10 -3.65501486e-10] [-3.65501486e-10 -3.84098634e-10 8.13005927e-10] [ 3.65501486e-10 3.84098634e-10 8.13005927e-10] [ 3.65501486e-10 -3.84098634e-10 -8.13005927e-10] [-3.65501486e-10 3.84098634e-10 -8.13005927e-10] [ 8.13005927e-10 -3.65501486e-10 -3.84098634e-10] [ 8.13005927e-10 3.65501486e-10 3.84098634e-10] [-8.13005927e-10 3.65501486e-10 -3.84098634e-10] [-8.13005927e-10 -3.65501486e-10 3.84098634e-10] [-3.84098634e-10 8.13005927e-10 -3.65501486e-10] [ 3.84098634e-10 8.13005927e-10 3.65501486e-10] [-3.84098634e-10 -8.13005927e-10 3.65501486e-10] [ 3.84098634e-10 -8.13005927e-10 -3.65501486e-10] [ 3.65501486e-10 3.84098634e-10 -8.13005927e-10] [-3.65501486e-10 -3.84098634e-10 -8.13005927e-10] [-3.65501486e-10 3.84098634e-10 8.13005927e-10] [ 3.65501486e-10 -3.84098634e-10 8.13005927e-10] [-8.13005927e-10 3.65501486e-10 3.84098634e-10] [-8.13005927e-10 -3.65501486e-10 -3.84098634e-10] [ 8.13005927e-10 -3.65501486e-10 3.84098634e-10] [ 8.13005927e-10 3.65501486e-10 -3.84098634e-10] [ 3.84098634e-10 -8.13005927e-10 3.65501486e-10] [-3.84098634e-10 -8.13005927e-10 -3.65501486e-10] [ 3.84098634e-10 8.13005927e-10 -3.65501486e-10] [-3.84098634e-10 8.13005927e-10 3.65501486e-10] [ 3.65501486e-10 3.84098634e-10 -8.13005927e-10] [-3.65501486e-10 -3.84098634e-10 -8.13005927e-10] [-3.65501486e-10 3.84098634e-10 8.13005927e-10] [ 3.65501486e-10 -3.84098634e-10 8.13005927e-10] [-8.13005927e-10 3.65501486e-10 3.84098634e-10] [-8.13005927e-10 -3.65501486e-10 -3.84098634e-10] [ 8.13005927e-10 -3.65501486e-10 3.84098634e-10] [ 8.13005927e-10 3.65501486e-10 -3.84098634e-10] [ 3.84098634e-10 -8.13005927e-10 3.65501486e-10] [-3.84098634e-10 -8.13005927e-10 -3.65501486e-10] [ 3.84098634e-10 8.13005927e-10 -3.65501486e-10] [-3.84098634e-10 8.13005927e-10 3.65501486e-10] [ 3.65501486e-10 3.84098634e-10 -8.13005927e-10] [-3.65501486e-10 -3.84098634e-10 -8.13005927e-10] [-3.65501486e-10 3.84098634e-10 8.13005927e-10] [ 3.65501486e-10 -3.84098634e-10 8.13005927e-10] [-8.13005927e-10 3.65501486e-10 3.84098634e-10] [-8.13005927e-10 -3.65501486e-10 -3.84098634e-10] [ 8.13005927e-10 -3.65501486e-10 3.84098634e-10] [ 8.13005927e-10 3.65501486e-10 -3.84098634e-10] [ 3.84098634e-10 -8.13005927e-10 3.65501486e-10] [-3.84098634e-10 -8.13005927e-10 -3.65501486e-10] [ 3.84098634e-10 8.13005927e-10 -3.65501486e-10] [-3.84098634e-10 8.13005927e-10 3.65501486e-10] [ 3.65501486e-10 3.84098634e-10 -8.13005927e-10] [-3.65501486e-10 -3.84098634e-10 -8.13005927e-10] [-3.65501486e-10 3.84098634e-10 8.13005927e-10] [ 3.65501486e-10 -3.84098634e-10 8.13005927e-10] [-8.13005927e-10 3.65501486e-10 3.84098634e-10] [-8.13005927e-10 -3.65501486e-10 -3.84098634e-10] [ 8.13005927e-10 -3.65501486e-10 3.84098634e-10] [ 8.13005927e-10 3.65501486e-10 -3.84098634e-10] [ 3.84098634e-10 -8.13005927e-10 3.65501486e-10] [-3.84098634e-10 -8.13005927e-10 -3.65501486e-10] [ 3.84098634e-10 8.13005927e-10 -3.65501486e-10] [-3.84098634e-10 8.13005927e-10 3.65501486e-10]] stress = [-3.81384766e-11 -3.81384766e-11 -3.81384766e-11 0.00000000e+00 0.00000000e+00 -3.69262923e-35] energy per atom = -7.160513028244626 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0