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: MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_002 ==== 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 15:03:29 -526.663850 1.652224 BFGS: 1 15:03:30 -528.848533 1.575473 BFGS: 2 15:03:30 -530.120981 1.528906 BFGS: 3 15:03:30 -531.203729 1.495911 BFGS: 4 15:03:30 -532.230783 1.467128 BFGS: 5 15:03:31 -533.233613 1.439817 BFGS: 6 15:03:32 -534.212469 1.413525 BFGS: 7 15:03:32 -535.159838 1.388277 BFGS: 8 15:03:34 -536.065970 1.364172 BFGS: 9 15:03:34 -536.921382 1.341257 BFGS: 10 15:03:35 -537.718008 1.319498 BFGS: 11 15:03:36 -538.449271 1.298794 BFGS: 12 15:03:36 -539.109199 1.279022 BFGS: 13 15:03:37 -539.691143 1.260108 BFGS: 14 15:03:38 -540.187513 1.242066 BFGS: 15 15:03:38 -540.592274 1.224965 BFGS: 16 15:03:39 -540.906162 1.208828 BFGS: 17 15:03:40 -541.140782 1.193529 BFGS: 18 15:03:41 -541.316923 1.178801 BFGS: 19 15:03:42 -541.457518 1.164353 BFGS: 20 15:03:42 -541.580748 1.149975 BFGS: 21 15:03:43 -541.697680 1.135560 BFGS: 22 15:03:43 -541.813841 1.121073 BFGS: 23 15:03:44 -541.931595 1.106511 BFGS: 24 15:03:45 -542.051777 1.091879 BFGS: 25 15:03:47 -542.174532 1.077189 BFGS: 26 15:03:48 -542.299717 1.062450 BFGS: 27 15:03:49 -542.427072 1.047673 BFGS: 28 15:03:50 -542.556302 1.032864 BFGS: 29 15:03:51 -542.687109 1.018032 BFGS: 30 15:03:52 -542.819202 1.003182 BFGS: 31 15:03:53 -542.952308 0.988321 BFGS: 32 15:03:54 -543.086167 0.973453 BFGS: 33 15:03:55 -543.220534 0.958584 BFGS: 34 15:03:55 -543.355178 0.943717 BFGS: 35 15:03:56 -543.489882 0.928858 BFGS: 36 15:03:56 -543.624443 0.914010 BFGS: 37 15:03:56 -543.758669 0.899176 BFGS: 38 15:03:56 -543.892381 0.884361 BFGS: 39 15:03:57 -544.025413 0.869567 BFGS: 40 15:03:58 -544.157608 0.854797 BFGS: 41 15:04:00 -544.288824 0.840054 BFGS: 42 15:04:01 -544.418928 0.825340 BFGS: 43 15:04:02 -544.547797 0.810658 BFGS: 44 15:04:03 -544.675320 0.796010 BFGS: 45 15:04:05 -544.801394 0.781398 BFGS: 46 15:04:07 -544.925928 0.766823 BFGS: 47 15:04:08 -545.048837 0.752288 BFGS: 48 15:04:08 -545.170046 0.737794 BFGS: 49 15:04:09 -545.289486 0.723342 BFGS: 50 15:04:11 -545.407095 0.708933 BFGS: 51 15:04:12 -545.522820 0.694569 BFGS: 52 15:04:13 -545.636612 0.680251 BFGS: 53 15:04:13 -545.748427 0.665978 BFGS: 54 15:04:14 -545.858228 0.651753 BFGS: 55 15:04:14 -545.965980 0.637575 BFGS: 56 15:04:15 -546.071655 0.623446 BFGS: 57 15:04:16 -546.175225 0.609366 BFGS: 58 15:04:17 -546.276671 0.595336 BFGS: 59 15:04:18 -546.375971 0.581355 BFGS: 60 15:04:18 -546.473109 0.567425 BFGS: 61 15:04:19 -546.568073 0.553545 BFGS: 62 15:04:21 -546.660849 0.539716 BFGS: 63 15:04:22 -546.751428 0.525938 BFGS: 64 15:04:24 -546.839802 0.512212 BFGS: 65 15:04:26 -546.925966 0.498536 BFGS: 66 15:04:27 -547.009913 0.484913 BFGS: 67 15:04:28 -547.091641 0.471341 BFGS: 68 15:04:29 -547.171148 0.457821 BFGS: 69 15:04:30 -547.248431 0.444353 BFGS: 70 15:04:32 -547.323491 0.430937 BFGS: 71 15:04:33 -547.396328 0.417573 BFGS: 72 15:04:34 -547.466943 0.404261 BFGS: 73 15:04:35 -547.535338 0.391000 BFGS: 74 15:04:36 -547.601515 0.377792 BFGS: 75 15:04:38 -547.665478 0.364636 BFGS: 76 15:04:39 -547.727230 0.351532 BFGS: 77 15:04:40 -547.786775 0.338479 BFGS: 78 15:04:43 -547.844116 0.325479 BFGS: 79 15:04:44 -547.899259 0.312530 BFGS: 80 15:04:45 -547.952208 0.299634 BFGS: 81 15:04:47 -548.002968 0.286788 BFGS: 82 15:04:48 -548.051545 0.273995 BFGS: 83 15:04:49 -548.097944 0.261253 BFGS: 84 15:04:51 -548.142170 0.248562 BFGS: 85 15:04:53 -548.184231 0.235923 BFGS: 86 15:04:55 -548.224131 0.223336 BFGS: 87 15:04:56 -548.261876 0.210799 BFGS: 88 15:04:57 -548.297473 0.198314 BFGS: 89 15:04:59 -548.330928 0.185880 BFGS: 90 15:05:00 -548.362247 0.173497 BFGS: 91 15:05:01 -548.391436 0.161165 BFGS: 92 15:05:03 -548.418502 0.148883 BFGS: 93 15:05:04 -548.443452 0.136653 BFGS: 94 15:05:07 -548.466290 0.124472 BFGS: 95 15:05:08 -548.487025 0.112343 BFGS: 96 15:05:08 -548.505662 0.100264 BFGS: 97 15:05:09 -548.522206 0.088235 BFGS: 98 15:05:09 -548.536665 0.076257 BFGS: 99 15:05:10 -548.549044 0.064329 BFGS: 100 15:05:10 -548.559349 0.052451 BFGS: 101 15:05:12 -548.567585 0.040623 BFGS: 102 15:05:12 -548.573756 0.028845 BFGS: 103 15:05:13 -548.577868 0.017117 BFGS: 104 15:05:13 -548.579921 0.005439 BFGS: 105 15:05:15 -548.580176 0.001231 BFGS: 106 15:05:17 -548.580176 0.001101 BFGS: 107 15:05:17 -548.580180 0.000151 BFGS: 108 15:05:18 -548.580180 0.000108 BFGS: 109 15:05:18 -548.580180 0.000042 BFGS: 110 15:05:19 -548.580180 0.000026 BFGS: 111 15:05:20 -548.580180 0.000013 BFGS: 112 15:05:21 -548.580180 0.000004 BFGS: 113 15:05:21 -548.580180 0.000000 BFGS: 114 15:05:22 -548.580180 0.000000 BFGS: 115 15:05:23 -548.580180 0.000000 Minimization converged after 115 steps. Maximum force component: 5.24289897925699e-09 eV/Angstrom Maximum stress component: 1.1239666357221036e-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 = [[1.75943353e-33 1.80348510e-32 0.00000000e+00] [3.32650021e-33 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 4.53200389e-33 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([[15.298636031467392, -1.4625657969538993e-33, -6.961316563024554e-33], [-4.6178562495278614e-32, 15.298636031467392, 9.056810202440438e-18], [3.270745187993723e-33, 9.056810202440363e-18, 15.298636031467392]]) forces = [[-1.63427548e-30 -5.02853995e-31 -5.02853995e-31] [ 4.39997245e-31 -5.02853995e-31 6.28567493e-32] [-1.50856198e-30 3.77140496e-31 -3.77140496e-31] [ 1.57141873e-30 1.25713499e-31 -1.88570248e-31] [-7.54280992e-31 -6.28567493e-31 3.14283747e-31] [ 9.11422865e-31 7.54280992e-31 5.65710744e-31] [-9.42851240e-31 1.25713499e-31 9.42851240e-31] [ 1.63427548e-30 1.35142011e-30 -6.28567493e-32] [ 4.25252587e-09 4.25252587e-09 4.25252587e-09] [-4.25252587e-09 -4.25252587e-09 4.25252587e-09] [-4.25252587e-09 4.25252587e-09 -4.25252587e-09] [ 4.25252587e-09 -4.25252587e-09 -4.25252587e-09] [ 4.25252587e-09 4.25252587e-09 -4.25252587e-09] [-4.25252587e-09 -4.25252587e-09 -4.25252587e-09] [ 4.25252587e-09 -4.25252587e-09 4.25252587e-09] [-4.25252587e-09 4.25252587e-09 4.25252587e-09] [ 4.25252587e-09 4.25252587e-09 -4.25252587e-09] [ 4.25252587e-09 -4.25252587e-09 4.25252587e-09] [-4.25252587e-09 4.25252587e-09 4.25252587e-09] [-4.25252587e-09 -4.25252587e-09 4.25252587e-09] [-4.25252587e-09 4.25252587e-09 -4.25252587e-09] [ 4.25252587e-09 -4.25252587e-09 -4.25252587e-09] [ 4.25252587e-09 4.25252587e-09 4.25252587e-09] [-4.25252587e-09 -4.25252587e-09 4.25252587e-09] [-4.25252587e-09 4.25252587e-09 -4.25252587e-09] [ 4.25252587e-09 4.25252587e-09 -4.25252587e-09] [-4.25252587e-09 -4.25252587e-09 -4.25252587e-09] [ 4.25252587e-09 -4.25252587e-09 4.25252587e-09] [ 4.25252587e-09 4.25252587e-09 -4.25252587e-09] [ 4.25252587e-09 -4.25252587e-09 4.25252587e-09] [-4.25252587e-09 -4.25252587e-09 4.25252587e-09] [-4.25252587e-09 4.25252587e-09 -4.25252587e-09] [ 4.25252587e-09 4.25252587e-09 4.25252587e-09] [ 4.25252587e-09 -4.25252587e-09 -4.25252587e-09] [-4.25252587e-09 -4.25252587e-09 -4.25252587e-09] [-4.25252587e-09 4.25252587e-09 4.25252587e-09] [-4.25252587e-09 4.25252587e-09 4.25252587e-09] [ 4.25252587e-09 -4.25252587e-09 -4.25252587e-09] [ 4.25252587e-09 4.25252587e-09 4.25252587e-09] [-4.25252587e-09 -4.25252587e-09 -4.25252587e-09] [ 5.24289898e-09 5.24289898e-09 2.37049278e-09] [-5.24289898e-09 -5.24289898e-09 2.37049278e-09] [-5.24289898e-09 5.24289898e-09 -2.37049278e-09] [ 5.24289898e-09 -5.24289898e-09 -2.37049278e-09] [ 2.37049278e-09 5.24289898e-09 5.24289898e-09] [ 2.37049278e-09 -5.24289898e-09 -5.24289898e-09] [-2.37049278e-09 -5.24289898e-09 5.24289898e-09] [-2.37049278e-09 5.24289898e-09 -5.24289898e-09] [ 5.24289898e-09 2.37049278e-09 5.24289898e-09] [-5.24289898e-09 2.37049278e-09 -5.24289898e-09] [ 5.24289898e-09 -2.37049278e-09 -5.24289898e-09] [-5.24289898e-09 -2.37049278e-09 5.24289898e-09] [ 5.24289898e-09 5.24289898e-09 -2.37049278e-09] [-5.24289898e-09 -5.24289898e-09 -2.37049278e-09] [ 5.24289898e-09 -5.24289898e-09 2.37049278e-09] [-5.24289898e-09 5.24289898e-09 2.37049278e-09] [ 5.24289898e-09 2.37049278e-09 -5.24289898e-09] [-5.24289898e-09 2.37049278e-09 5.24289898e-09] [-5.24289898e-09 -2.37049278e-09 -5.24289898e-09] [ 5.24289898e-09 -2.37049278e-09 5.24289898e-09] [ 2.37049278e-09 5.24289898e-09 -5.24289898e-09] [ 2.37049278e-09 -5.24289898e-09 5.24289898e-09] [-2.37049278e-09 5.24289898e-09 5.24289898e-09] [-2.37049278e-09 -5.24289898e-09 -5.24289898e-09] [ 5.24289898e-09 5.24289898e-09 -2.37049278e-09] [ 5.24289898e-09 -5.24289898e-09 2.37049278e-09] [-5.24289898e-09 5.24289898e-09 2.37049278e-09] [-2.37049278e-09 5.24289898e-09 5.24289898e-09] [ 2.37049278e-09 5.24289898e-09 -5.24289898e-09] [ 2.37049278e-09 -5.24289898e-09 5.24289898e-09] [ 5.24289898e-09 -2.37049278e-09 5.24289898e-09] [-5.24289898e-09 2.37049278e-09 5.24289898e-09] [ 5.24289898e-09 2.37049278e-09 -5.24289898e-09] [-5.24289898e-09 -5.24289898e-09 2.37049278e-09] [-5.24289898e-09 5.24289898e-09 -2.37049278e-09] [ 5.24289898e-09 -5.24289898e-09 -2.37049278e-09] [-5.24289898e-09 -2.37049278e-09 5.24289898e-09] [ 5.24289898e-09 -2.37049278e-09 -5.24289898e-09] [-5.24289898e-09 2.37049278e-09 -5.24289898e-09] [-2.37049278e-09 -5.24289898e-09 5.24289898e-09] [-2.37049278e-09 5.24289898e-09 -5.24289898e-09] [ 2.37049278e-09 -5.24289898e-09 -5.24289898e-09] [ 5.24289898e-09 5.24289898e-09 2.37049278e-09] [-5.24289898e-09 -5.24289898e-09 2.37049278e-09] [-5.24289898e-09 5.24289898e-09 -2.37049278e-09] [ 2.37049278e-09 5.24289898e-09 5.24289898e-09] [-2.37049278e-09 -5.24289898e-09 5.24289898e-09] [-2.37049278e-09 5.24289898e-09 -5.24289898e-09] [ 5.24289898e-09 2.37049278e-09 5.24289898e-09] [-5.24289898e-09 2.37049278e-09 -5.24289898e-09] [-5.24289898e-09 -2.37049278e-09 5.24289898e-09] [ 5.24289898e-09 5.24289898e-09 -2.37049278e-09] [-5.24289898e-09 -5.24289898e-09 -2.37049278e-09] [ 5.24289898e-09 -5.24289898e-09 2.37049278e-09] [ 5.24289898e-09 2.37049278e-09 -5.24289898e-09] [-5.24289898e-09 -2.37049278e-09 -5.24289898e-09] [ 5.24289898e-09 -2.37049278e-09 5.24289898e-09] [ 2.37049278e-09 5.24289898e-09 -5.24289898e-09] [ 2.37049278e-09 -5.24289898e-09 5.24289898e-09] [-2.37049278e-09 -5.24289898e-09 -5.24289898e-09] [ 5.24289898e-09 5.24289898e-09 -2.37049278e-09] [ 5.24289898e-09 -5.24289898e-09 2.37049278e-09] [ 2.37049278e-09 5.24289898e-09 -5.24289898e-09] [ 2.37049278e-09 -5.24289898e-09 5.24289898e-09] [ 5.24289898e-09 -2.37049278e-09 5.24289898e-09] [ 5.24289898e-09 2.37049278e-09 -5.24289898e-09] [-5.24289898e-09 -5.24289898e-09 2.37049278e-09] [-5.24289898e-09 5.24289898e-09 -2.37049278e-09] [-5.24289898e-09 -2.37049278e-09 5.24289898e-09] [-5.24289898e-09 2.37049278e-09 -5.24289898e-09] [-2.37049278e-09 -5.24289898e-09 5.24289898e-09] [-2.37049278e-09 5.24289898e-09 -5.24289898e-09] [ 5.24289898e-09 5.24289898e-09 2.37049278e-09] [ 5.24289898e-09 -5.24289898e-09 -2.37049278e-09] [ 2.37049278e-09 5.24289898e-09 5.24289898e-09] [ 2.37049278e-09 -5.24289898e-09 -5.24289898e-09] [ 5.24289898e-09 2.37049278e-09 5.24289898e-09] [ 5.24289898e-09 -2.37049278e-09 -5.24289898e-09] [-5.24289898e-09 -5.24289898e-09 -2.37049278e-09] [-5.24289898e-09 5.24289898e-09 2.37049278e-09] [-5.24289898e-09 2.37049278e-09 5.24289898e-09] [-5.24289898e-09 -2.37049278e-09 -5.24289898e-09] [-2.37049278e-09 5.24289898e-09 5.24289898e-09] [-2.37049278e-09 -5.24289898e-09 -5.24289898e-09] [-5.24289898e-09 5.24289898e-09 2.37049278e-09] [-2.37049278e-09 5.24289898e-09 5.24289898e-09] [-5.24289898e-09 2.37049278e-09 5.24289898e-09] [ 5.24289898e-09 -5.24289898e-09 -2.37049278e-09] [ 5.24289898e-09 -2.37049278e-09 -5.24289898e-09] [ 2.37049278e-09 -5.24289898e-09 -5.24289898e-09] [ 5.24289898e-09 5.24289898e-09 2.37049278e-09] [ 2.37049278e-09 5.24289898e-09 5.24289898e-09] [ 5.24289898e-09 2.37049278e-09 5.24289898e-09] [-5.24289898e-09 -5.24289898e-09 -2.37049278e-09] [-5.24289898e-09 -2.37049278e-09 -5.24289898e-09] [-2.37049278e-09 -5.24289898e-09 -5.24289898e-09]] stress = [ 1.12396664e-10 1.12396664e-10 1.12396664e-10 -3.92614079e-27 4.03491754e-61 -7.78745164e-59] energy per atom = -4.033677794817197 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0