element(s): ['Si'] AFLOW prototype label: A_cF136_227_aeg Parameter names: ['a', 'x2', 'x3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['14.7362', '0.76473335', '0.31636148', '0.12789779'] model name: Sim_LAMMPS_MEAM_Wagner_2007_SiC__SM_264944083668_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0.88973335 0.88973335 0.88973335] [0.44136148 0.44136148 0.25289779]] spacegroup = 227 cell = [[14.7362, 0, 0], [0, 14.7362, 0], [0, 0, 14.7362]] ========================================= Step Time Energy fmax BFGS: 0 16:04:32 -526.663850 1.652224 BFGS: 1 16:04:33 -528.848533 1.575473 BFGS: 2 16:04:34 -530.120981 1.528906 BFGS: 3 16:04:34 -531.203729 1.495911 BFGS: 4 16:04:35 -532.230784 1.467128 BFGS: 5 16:04:35 -533.233613 1.439817 BFGS: 6 16:04:36 -534.212469 1.413525 BFGS: 7 16:04:36 -535.159839 1.388277 BFGS: 8 16:04:38 -536.065970 1.364172 BFGS: 9 16:04:39 -536.921382 1.341257 BFGS: 10 16:04:39 -537.718008 1.319498 BFGS: 11 16:04:40 -538.449271 1.298793 BFGS: 12 16:04:41 -539.109199 1.279022 BFGS: 13 16:04:42 -539.691144 1.260108 BFGS: 14 16:04:43 -540.187513 1.242066 BFGS: 15 16:04:44 -540.592275 1.224965 BFGS: 16 16:04:45 -540.906162 1.208828 BFGS: 17 16:04:46 -541.140782 1.193529 BFGS: 18 16:04:47 -541.316922 1.178801 BFGS: 19 16:04:48 -541.457518 1.164353 BFGS: 20 16:04:49 -541.580748 1.149975 BFGS: 21 16:04:49 -541.697680 1.135560 BFGS: 22 16:04:50 -541.813841 1.121073 BFGS: 23 16:04:51 -541.931595 1.106511 BFGS: 24 16:04:51 -542.051776 1.091879 BFGS: 25 16:04:52 -542.174532 1.077189 BFGS: 26 16:04:53 -542.299716 1.062450 BFGS: 27 16:04:53 -542.427072 1.047673 BFGS: 28 16:04:54 -542.556302 1.032864 BFGS: 29 16:04:54 -542.687109 1.018032 BFGS: 30 16:04:55 -542.819202 1.003182 BFGS: 31 16:04:56 -542.952308 0.988321 BFGS: 32 16:04:57 -543.086167 0.973453 BFGS: 33 16:04:58 -543.220534 0.958584 BFGS: 34 16:04:59 -543.355178 0.943717 BFGS: 35 16:05:00 -543.489882 0.928858 BFGS: 36 16:05:02 -543.624443 0.914010 BFGS: 37 16:05:02 -543.758669 0.899176 BFGS: 38 16:05:03 -543.892381 0.884361 BFGS: 39 16:05:04 -544.025413 0.869567 BFGS: 40 16:05:05 -544.157608 0.854797 BFGS: 41 16:05:07 -544.288824 0.840053 BFGS: 42 16:05:07 -544.418928 0.825340 BFGS: 43 16:05:08 -544.547797 0.810658 BFGS: 44 16:05:09 -544.675320 0.796010 BFGS: 45 16:05:10 -544.801394 0.781398 BFGS: 46 16:05:11 -544.925928 0.766823 BFGS: 47 16:05:11 -545.048838 0.752288 BFGS: 48 16:05:12 -545.170046 0.737794 BFGS: 49 16:05:13 -545.289486 0.723342 BFGS: 50 16:05:14 -545.407095 0.708933 BFGS: 51 16:05:15 -545.522821 0.694569 BFGS: 52 16:05:16 -545.636612 0.680250 BFGS: 53 16:05:16 -545.748428 0.665978 BFGS: 54 16:05:17 -545.858228 0.651753 BFGS: 55 16:05:18 -545.965980 0.637575 BFGS: 56 16:05:19 -546.071655 0.623446 BFGS: 57 16:05:20 -546.175226 0.609366 BFGS: 58 16:05:22 -546.276671 0.595336 BFGS: 59 16:05:24 -546.375971 0.581355 BFGS: 60 16:05:25 -546.473110 0.567425 BFGS: 61 16:05:26 -546.568073 0.553545 BFGS: 62 16:05:27 -546.660849 0.539716 BFGS: 63 16:05:28 -546.751428 0.525938 BFGS: 64 16:05:30 -546.839802 0.512211 BFGS: 65 16:05:31 -546.925966 0.498536 BFGS: 66 16:05:34 -547.009913 0.484913 BFGS: 67 16:05:36 -547.091641 0.471341 BFGS: 68 16:05:38 -547.171148 0.457821 BFGS: 69 16:05:40 -547.248431 0.444353 BFGS: 70 16:05:42 -547.323491 0.430937 BFGS: 71 16:05:44 -547.396328 0.417573 BFGS: 72 16:05:45 -547.466943 0.404261 BFGS: 73 16:05:47 -547.535338 0.391000 BFGS: 74 16:05:50 -547.601516 0.377792 BFGS: 75 16:05:54 -547.665478 0.364636 BFGS: 76 16:05:59 -547.727230 0.351532 BFGS: 77 16:06:02 -547.786775 0.338479 BFGS: 78 16:06:05 -547.844116 0.325479 BFGS: 79 16:06:07 -547.899259 0.312530 BFGS: 80 16:06:12 -547.952208 0.299633 BFGS: 81 16:06:17 -548.002968 0.286788 BFGS: 82 16:06:19 -548.051545 0.273995 BFGS: 83 16:06:21 -548.097944 0.261253 BFGS: 84 16:06:27 -548.142171 0.248562 BFGS: 85 16:06:32 -548.184231 0.235923 BFGS: 86 16:06:36 -548.224131 0.223336 BFGS: 87 16:06:38 -548.261876 0.210799 BFGS: 88 16:06:40 -548.297473 0.198314 BFGS: 89 16:06:40 -548.330928 0.185880 BFGS: 90 16:06:41 -548.362247 0.173497 BFGS: 91 16:06:42 -548.391436 0.161165 BFGS: 92 16:06:43 -548.418502 0.148883 BFGS: 93 16:06:45 -548.443452 0.136653 BFGS: 94 16:06:46 -548.466290 0.124472 BFGS: 95 16:06:48 -548.487025 0.112343 BFGS: 96 16:06:49 -548.505662 0.100264 BFGS: 97 16:06:50 -548.522206 0.088235 BFGS: 98 16:06:51 -548.536665 0.076257 BFGS: 99 16:06:52 -548.549044 0.064329 BFGS: 100 16:06:53 -548.559349 0.052451 BFGS: 101 16:06:54 -548.567585 0.040623 BFGS: 102 16:06:55 -548.573756 0.028845 BFGS: 103 16:06:55 -548.577868 0.017117 BFGS: 104 16:06:57 -548.579921 0.005439 BFGS: 105 16:06:58 -548.580176 0.001231 BFGS: 106 16:06:59 -548.580176 0.001101 BFGS: 107 16:07:00 -548.580180 0.000151 BFGS: 108 16:07:01 -548.580180 0.000108 BFGS: 109 16:07:03 -548.580180 0.000042 BFGS: 110 16:07:04 -548.580180 0.000026 BFGS: 111 16:07:05 -548.580180 0.000013 BFGS: 112 16:07:06 -548.580180 0.000004 BFGS: 113 16:07:08 -548.580180 0.000000 BFGS: 114 16:07:09 -548.580180 0.000000 BFGS: 115 16:07:11 -548.580180 0.000000 Minimization converged after 115 steps. Maximum force component: 5.242903174107475e-09 eV/Angstrom Maximum stress component: 1.1239592506015101e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 0.00000000e+00 8.39473919e-33] [1.45053887e-32 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.31931669e-32] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01] [9.04614336e-01 9.04614336e-01 9.04614336e-01] [9.53856643e-02 5.95385664e-01 4.04614336e-01] [5.95385664e-01 4.04614336e-01 9.53856643e-02] [4.04614336e-01 9.53856643e-02 5.95385664e-01] [6.54614336e-01 1.54614336e-01 8.45385664e-01] [3.45385664e-01 3.45385664e-01 3.45385664e-01] [1.54614336e-01 8.45385664e-01 6.54614336e-01] [8.45385664e-01 6.54614336e-01 1.54614336e-01] [1.54614336e-01 6.54614336e-01 8.45385664e-01] [6.54614336e-01 8.45385664e-01 1.54614336e-01] [8.45385664e-01 1.54614336e-01 6.54614336e-01] [5.95385664e-01 9.53856643e-02 4.04614336e-01] [9.53856643e-02 4.04614336e-01 5.95385664e-01] [4.04614336e-01 5.95385664e-01 9.53856643e-02] [9.04614336e-01 4.04614336e-01 4.04614336e-01] [9.53856643e-02 9.53856643e-02 9.04614336e-01] [5.95385664e-01 9.04614336e-01 5.95385664e-01] [6.54614336e-01 6.54614336e-01 3.45385664e-01] [3.45385664e-01 8.45385664e-01 8.45385664e-01] [1.54614336e-01 3.45385664e-01 1.54614336e-01] [1.54614336e-01 1.54614336e-01 3.45385664e-01] [6.54614336e-01 3.45385664e-01 6.54614336e-01] [5.95385664e-01 5.95385664e-01 9.04614336e-01] [9.53856643e-02 9.04614336e-01 9.53856643e-02] [4.04614336e-01 9.04614336e-01 4.04614336e-01] [9.04614336e-01 9.53856643e-02 9.53856643e-02] [8.45385664e-01 3.45385664e-01 8.45385664e-01] [3.45385664e-01 6.54614336e-01 6.54614336e-01] [3.45385664e-01 1.54614336e-01 1.54614336e-01] [9.04614336e-01 5.95385664e-01 5.95385664e-01] [4.04614336e-01 4.04614336e-01 9.04614336e-01] [8.45385664e-01 8.45385664e-01 3.45385664e-01] [4.39527827e-01 4.39527827e-01 2.56785271e-01] [5.60472173e-01 6.04721726e-02 7.56785271e-01] [6.04721726e-02 9.39527827e-01 7.43214729e-01] [9.39527827e-01 5.60472173e-01 2.43214729e-01] [2.56785271e-01 4.39527827e-01 4.39527827e-01] [7.56785271e-01 5.60472173e-01 6.04721726e-02] [7.43214729e-01 6.04721726e-02 9.39527827e-01] [2.43214729e-01 9.39527827e-01 5.60472173e-01] [4.39527827e-01 2.56785271e-01 4.39527827e-01] [6.04721726e-02 7.56785271e-01 5.60472173e-01] [9.39527827e-01 7.43214729e-01 6.04721726e-02] [5.60472173e-01 2.43214729e-01 9.39527827e-01] [1.89527827e-01 6.89527827e-01 4.93214729e-01] [8.10472173e-01 8.10472173e-01 9.93214729e-01] [6.89527827e-01 3.10472173e-01 6.78527145e-03] [3.10472173e-01 1.89527827e-01 5.06785271e-01] [1.89527827e-01 5.06785271e-01 3.10472173e-01] [3.10472173e-01 6.78527145e-03 6.89527827e-01] [8.10472173e-01 9.93214729e-01 8.10472173e-01] [6.89527827e-01 4.93214729e-01 1.89527827e-01] [6.78527145e-03 6.89527827e-01 3.10472173e-01] [5.06785271e-01 3.10472173e-01 1.89527827e-01] [4.93214729e-01 1.89527827e-01 6.89527827e-01] [9.93214729e-01 8.10472173e-01 8.10472173e-01] [6.89527827e-01 1.89527827e-01 4.93214729e-01] [1.89527827e-01 3.10472173e-01 5.06785271e-01] [3.10472173e-01 6.89527827e-01 6.78527145e-03] [4.93214729e-01 6.89527827e-01 1.89527827e-01] [5.06785271e-01 1.89527827e-01 3.10472173e-01] [6.78527145e-03 3.10472173e-01 6.89527827e-01] [1.89527827e-01 4.93214729e-01 6.89527827e-01] [3.10472173e-01 5.06785271e-01 1.89527827e-01] [6.89527827e-01 6.78527145e-03 3.10472173e-01] [6.04721726e-02 5.60472173e-01 7.56785271e-01] [5.60472173e-01 9.39527827e-01 2.43214729e-01] [9.39527827e-01 6.04721726e-02 7.43214729e-01] [6.04721726e-02 7.43214729e-01 9.39527827e-01] [9.39527827e-01 2.43214729e-01 5.60472173e-01] [5.60472173e-01 7.56785271e-01 6.04721726e-02] [2.43214729e-01 5.60472173e-01 9.39527827e-01] [7.43214729e-01 9.39527827e-01 6.04721726e-02] [7.56785271e-01 6.04721726e-02 5.60472173e-01] [4.39527827e-01 9.39527827e-01 7.56785271e-01] [5.60472173e-01 5.60472173e-01 2.56785271e-01] [6.04721726e-02 4.39527827e-01 2.43214729e-01] [2.56785271e-01 9.39527827e-01 9.39527827e-01] [7.43214729e-01 5.60472173e-01 4.39527827e-01] [2.43214729e-01 4.39527827e-01 6.04721726e-02] [4.39527827e-01 7.56785271e-01 9.39527827e-01] [6.04721726e-02 2.56785271e-01 6.04721726e-02] [5.60472173e-01 7.43214729e-01 4.39527827e-01] [1.89527827e-01 1.89527827e-01 9.93214729e-01] [8.10472173e-01 3.10472173e-01 4.93214729e-01] [6.89527827e-01 8.10472173e-01 5.06785271e-01] [1.89527827e-01 6.78527145e-03 8.10472173e-01] [8.10472173e-01 4.93214729e-01 3.10472173e-01] [6.89527827e-01 9.93214729e-01 6.89527827e-01] [6.78527145e-03 1.89527827e-01 8.10472173e-01] [5.06785271e-01 8.10472173e-01 6.89527827e-01] [9.93214729e-01 3.10472173e-01 3.10472173e-01] [6.89527827e-01 6.89527827e-01 9.93214729e-01] [1.89527827e-01 8.10472173e-01 6.78527145e-03] [5.06785271e-01 6.89527827e-01 8.10472173e-01] [6.78527145e-03 8.10472173e-01 1.89527827e-01] [1.89527827e-01 9.93214729e-01 1.89527827e-01] [6.89527827e-01 5.06785271e-01 8.10472173e-01] [6.04721726e-02 6.04721726e-02 2.56785271e-01] [5.60472173e-01 4.39527827e-01 7.43214729e-01] [6.04721726e-02 2.43214729e-01 4.39527827e-01] [5.60472173e-01 2.56785271e-01 5.60472173e-01] [2.43214729e-01 6.04721726e-02 4.39527827e-01] [7.43214729e-01 4.39527827e-01 5.60472173e-01] [9.39527827e-01 4.39527827e-01 7.56785271e-01] [4.39527827e-01 5.60472173e-01 7.43214729e-01] [7.56785271e-01 4.39527827e-01 9.39527827e-01] [2.56785271e-01 5.60472173e-01 5.60472173e-01] [9.39527827e-01 2.56785271e-01 9.39527827e-01] [4.39527827e-01 7.43214729e-01 5.60472173e-01] [3.10472173e-01 8.10472173e-01 4.93214729e-01] [8.10472173e-01 1.89527827e-01 6.78527145e-03] [8.10472173e-01 6.78527145e-03 1.89527827e-01] [3.10472173e-01 9.93214729e-01 3.10472173e-01] [9.93214729e-01 1.89527827e-01 1.89527827e-01] [4.93214729e-01 8.10472173e-01 3.10472173e-01] [8.10472173e-01 6.89527827e-01 5.06785271e-01] [9.93214729e-01 6.89527827e-01 6.89527827e-01] [8.10472173e-01 5.06785271e-01 6.89527827e-01] [4.39527827e-01 6.04721726e-02 2.43214729e-01] [4.39527827e-01 2.43214729e-01 6.04721726e-02] [2.56785271e-01 6.04721726e-02 6.04721726e-02] [9.39527827e-01 9.39527827e-01 2.56785271e-01] [7.56785271e-01 9.39527827e-01 4.39527827e-01] [9.39527827e-01 7.56785271e-01 4.39527827e-01] [3.10472173e-01 3.10472173e-01 9.93214729e-01] [3.10472173e-01 4.93214729e-01 8.10472173e-01] [4.93214729e-01 3.10472173e-01 8.10472173e-01]] cellpar = Cell([[15.298636031467385, 7.545977519923557e-32, 2.721190268874596e-32], [1.141077208303954e-32, 15.298636031467385, -1.3128312554112785e-17], [-2.3336934264074757e-32, -1.3128312554112675e-17, 15.298636031467385]]) forces = [[-1.13142149e-30 -1.46927652e-30 -7.22852617e-31] [ 9.11422865e-31 -3.77140496e-31 -3.22140840e-31] [-1.19427824e-30 1.57141873e-31 -4.71425620e-31] [ 4.16425964e-31 -3.06426653e-31 -1.71284642e-30] [-1.25713499e-31 -6.28567493e-31 1.00570799e-30] [-8.79994490e-31 -8.63034377e-49 1.00570799e-30] [-2.82855372e-31 2.13712948e-30 2.10570110e-30] [-2.51426997e-31 -2.41998485e-30 3.77140496e-31] [ 4.25251086e-09 4.25251086e-09 4.25251086e-09] [-4.25251086e-09 -4.25251086e-09 4.25251086e-09] [-4.25251086e-09 4.25251086e-09 -4.25251086e-09] [ 4.25251086e-09 -4.25251086e-09 -4.25251086e-09] [ 4.25251086e-09 4.25251086e-09 -4.25251086e-09] [-4.25251086e-09 -4.25251086e-09 -4.25251086e-09] [ 4.25251086e-09 -4.25251086e-09 4.25251086e-09] [-4.25251086e-09 4.25251086e-09 4.25251086e-09] [ 4.25251086e-09 4.25251086e-09 -4.25251086e-09] [ 4.25251086e-09 -4.25251086e-09 4.25251086e-09] [-4.25251086e-09 4.25251086e-09 4.25251086e-09] [-4.25251086e-09 -4.25251086e-09 4.25251086e-09] [-4.25251086e-09 4.25251086e-09 -4.25251086e-09] [ 4.25251086e-09 -4.25251086e-09 -4.25251086e-09] [ 4.25251086e-09 4.25251086e-09 4.25251086e-09] [-4.25251086e-09 -4.25251086e-09 4.25251086e-09] [-4.25251086e-09 4.25251086e-09 -4.25251086e-09] [ 4.25251086e-09 4.25251086e-09 -4.25251086e-09] [-4.25251086e-09 -4.25251086e-09 -4.25251086e-09] [ 4.25251086e-09 -4.25251086e-09 4.25251086e-09] [ 4.25251086e-09 4.25251086e-09 -4.25251086e-09] [ 4.25251086e-09 -4.25251086e-09 4.25251086e-09] [-4.25251086e-09 -4.25251086e-09 4.25251086e-09] [-4.25251086e-09 4.25251086e-09 -4.25251086e-09] [ 4.25251086e-09 4.25251086e-09 4.25251086e-09] [ 4.25251086e-09 -4.25251086e-09 -4.25251086e-09] [-4.25251086e-09 -4.25251086e-09 -4.25251086e-09] [-4.25251086e-09 4.25251086e-09 4.25251086e-09] [-4.25251086e-09 4.25251086e-09 4.25251086e-09] [ 4.25251086e-09 -4.25251086e-09 -4.25251086e-09] [ 4.25251086e-09 4.25251086e-09 4.25251086e-09] [-4.25251086e-09 -4.25251086e-09 -4.25251086e-09] [ 5.24290317e-09 5.24290317e-09 2.37050189e-09] [-5.24290317e-09 -5.24290317e-09 2.37050189e-09] [-5.24290317e-09 5.24290317e-09 -2.37050189e-09] [ 5.24290317e-09 -5.24290317e-09 -2.37050189e-09] [ 2.37050189e-09 5.24290317e-09 5.24290317e-09] [ 2.37050189e-09 -5.24290317e-09 -5.24290317e-09] [-2.37050189e-09 -5.24290317e-09 5.24290317e-09] [-2.37050189e-09 5.24290317e-09 -5.24290317e-09] [ 5.24290317e-09 2.37050189e-09 5.24290317e-09] [-5.24290317e-09 2.37050189e-09 -5.24290317e-09] [ 5.24290317e-09 -2.37050189e-09 -5.24290317e-09] [-5.24290317e-09 -2.37050189e-09 5.24290317e-09] [ 5.24290317e-09 5.24290317e-09 -2.37050189e-09] [-5.24290317e-09 -5.24290317e-09 -2.37050189e-09] [ 5.24290317e-09 -5.24290317e-09 2.37050189e-09] [-5.24290317e-09 5.24290317e-09 2.37050189e-09] [ 5.24290317e-09 2.37050189e-09 -5.24290317e-09] [-5.24290317e-09 2.37050189e-09 5.24290317e-09] [-5.24290317e-09 -2.37050189e-09 -5.24290317e-09] [ 5.24290317e-09 -2.37050189e-09 5.24290317e-09] [ 2.37050189e-09 5.24290317e-09 -5.24290317e-09] [ 2.37050189e-09 -5.24290317e-09 5.24290317e-09] [-2.37050189e-09 5.24290317e-09 5.24290317e-09] [-2.37050189e-09 -5.24290317e-09 -5.24290317e-09] [ 5.24290317e-09 5.24290317e-09 -2.37050189e-09] [ 5.24290317e-09 -5.24290317e-09 2.37050189e-09] [-5.24290317e-09 5.24290317e-09 2.37050189e-09] [-2.37050189e-09 5.24290317e-09 5.24290317e-09] [ 2.37050189e-09 5.24290317e-09 -5.24290317e-09] [ 2.37050189e-09 -5.24290317e-09 5.24290317e-09] [ 5.24290317e-09 -2.37050189e-09 5.24290317e-09] [-5.24290317e-09 2.37050189e-09 5.24290317e-09] [ 5.24290317e-09 2.37050189e-09 -5.24290317e-09] [-5.24290317e-09 -5.24290317e-09 2.37050189e-09] [-5.24290317e-09 5.24290317e-09 -2.37050189e-09] [ 5.24290317e-09 -5.24290317e-09 -2.37050189e-09] [-5.24290317e-09 -2.37050189e-09 5.24290317e-09] [ 5.24290317e-09 -2.37050189e-09 -5.24290317e-09] [-5.24290317e-09 2.37050189e-09 -5.24290317e-09] [-2.37050189e-09 -5.24290317e-09 5.24290317e-09] [-2.37050189e-09 5.24290317e-09 -5.24290317e-09] [ 2.37050189e-09 -5.24290317e-09 -5.24290317e-09] [ 5.24290317e-09 5.24290317e-09 2.37050189e-09] [-5.24290317e-09 -5.24290317e-09 2.37050189e-09] [-5.24290317e-09 5.24290317e-09 -2.37050189e-09] [ 2.37050189e-09 5.24290317e-09 5.24290317e-09] [-2.37050189e-09 -5.24290317e-09 5.24290317e-09] [-2.37050189e-09 5.24290317e-09 -5.24290317e-09] [ 5.24290317e-09 2.37050189e-09 5.24290317e-09] [-5.24290317e-09 2.37050189e-09 -5.24290317e-09] [-5.24290317e-09 -2.37050189e-09 5.24290317e-09] [ 5.24290317e-09 5.24290317e-09 -2.37050189e-09] [-5.24290317e-09 -5.24290317e-09 -2.37050189e-09] [ 5.24290317e-09 -5.24290317e-09 2.37050189e-09] [ 5.24290317e-09 2.37050189e-09 -5.24290317e-09] [-5.24290317e-09 -2.37050189e-09 -5.24290317e-09] [ 5.24290317e-09 -2.37050189e-09 5.24290317e-09] [ 2.37050189e-09 5.24290317e-09 -5.24290317e-09] [ 2.37050189e-09 -5.24290317e-09 5.24290317e-09] [-2.37050189e-09 -5.24290317e-09 -5.24290317e-09] [ 5.24290317e-09 5.24290317e-09 -2.37050189e-09] [ 5.24290317e-09 -5.24290317e-09 2.37050189e-09] [ 2.37050189e-09 5.24290317e-09 -5.24290317e-09] [ 2.37050189e-09 -5.24290317e-09 5.24290317e-09] [ 5.24290317e-09 -2.37050189e-09 5.24290317e-09] [ 5.24290317e-09 2.37050189e-09 -5.24290317e-09] [-5.24290317e-09 -5.24290317e-09 2.37050189e-09] [-5.24290317e-09 5.24290317e-09 -2.37050189e-09] [-5.24290317e-09 -2.37050189e-09 5.24290317e-09] [-5.24290317e-09 2.37050189e-09 -5.24290317e-09] [-2.37050189e-09 -5.24290317e-09 5.24290317e-09] [-2.37050189e-09 5.24290317e-09 -5.24290317e-09] [ 5.24290317e-09 5.24290317e-09 2.37050189e-09] [ 5.24290317e-09 -5.24290317e-09 -2.37050189e-09] [ 2.37050189e-09 5.24290317e-09 5.24290317e-09] [ 2.37050189e-09 -5.24290317e-09 -5.24290317e-09] [ 5.24290317e-09 2.37050189e-09 5.24290317e-09] [ 5.24290317e-09 -2.37050189e-09 -5.24290317e-09] [-5.24290317e-09 -5.24290317e-09 -2.37050189e-09] [-5.24290317e-09 5.24290317e-09 2.37050189e-09] [-5.24290317e-09 2.37050189e-09 5.24290317e-09] [-5.24290317e-09 -2.37050189e-09 -5.24290317e-09] [-2.37050189e-09 5.24290317e-09 5.24290317e-09] [-2.37050189e-09 -5.24290317e-09 -5.24290317e-09] [-5.24290317e-09 5.24290317e-09 2.37050189e-09] [-2.37050189e-09 5.24290317e-09 5.24290317e-09] [-5.24290317e-09 2.37050189e-09 5.24290317e-09] [ 5.24290317e-09 -5.24290317e-09 -2.37050189e-09] [ 5.24290317e-09 -2.37050189e-09 -5.24290317e-09] [ 2.37050189e-09 -5.24290317e-09 -5.24290317e-09] [ 5.24290317e-09 5.24290317e-09 2.37050189e-09] [ 2.37050189e-09 5.24290317e-09 5.24290317e-09] [ 5.24290317e-09 2.37050189e-09 5.24290317e-09] [-5.24290317e-09 -5.24290317e-09 -2.37050189e-09] [-5.24290317e-09 -2.37050189e-09 -5.24290317e-09] [-2.37050189e-09 -5.24290317e-09 -5.24290317e-09]] stress = [ 1.12395925e-10 1.12395925e-10 1.12395925e-10 -3.17291102e-27 -9.66217371e-59 2.01620120e-59] energy per atom = -4.033677794817195 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0