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 00:27:55 -526.663850 1.652224 BFGS: 1 00:27:56 -528.848533 1.575473 BFGS: 2 00:27:57 -530.120981 1.528906 BFGS: 3 00:27:58 -531.203729 1.495911 BFGS: 4 00:27:59 -532.230783 1.467128 BFGS: 5 00:28:00 -533.233613 1.439817 BFGS: 6 00:28:02 -534.212469 1.413525 BFGS: 7 00:28:03 -535.159838 1.388277 BFGS: 8 00:28:04 -536.065970 1.364172 BFGS: 9 00:28:05 -536.921382 1.341257 BFGS: 10 00:28:06 -537.718008 1.319498 BFGS: 11 00:28:07 -538.449271 1.298794 BFGS: 12 00:28:09 -539.109199 1.279022 BFGS: 13 00:28:10 -539.691143 1.260108 BFGS: 14 00:28:11 -540.187513 1.242066 BFGS: 15 00:28:12 -540.592274 1.224965 BFGS: 16 00:28:13 -540.906162 1.208828 BFGS: 17 00:28:14 -541.140782 1.193529 BFGS: 18 00:28:15 -541.316923 1.178801 BFGS: 19 00:28:16 -541.457518 1.164353 BFGS: 20 00:28:17 -541.580748 1.149975 BFGS: 21 00:28:18 -541.697680 1.135560 BFGS: 22 00:28:19 -541.813841 1.121073 BFGS: 23 00:28:21 -541.931595 1.106511 BFGS: 24 00:28:22 -542.051777 1.091879 BFGS: 25 00:28:23 -542.174532 1.077189 BFGS: 26 00:28:24 -542.299717 1.062450 BFGS: 27 00:28:25 -542.427072 1.047673 BFGS: 28 00:28:26 -542.556302 1.032864 BFGS: 29 00:28:27 -542.687109 1.018032 BFGS: 30 00:28:28 -542.819202 1.003182 BFGS: 31 00:28:29 -542.952308 0.988321 BFGS: 32 00:28:30 -543.086167 0.973453 BFGS: 33 00:28:31 -543.220534 0.958584 BFGS: 34 00:28:32 -543.355178 0.943717 BFGS: 35 00:28:33 -543.489882 0.928858 BFGS: 36 00:28:34 -543.624443 0.914010 BFGS: 37 00:28:35 -543.758669 0.899176 BFGS: 38 00:28:36 -543.892381 0.884361 BFGS: 39 00:28:37 -544.025413 0.869567 BFGS: 40 00:28:38 -544.157608 0.854797 BFGS: 41 00:28:40 -544.288824 0.840054 BFGS: 42 00:28:41 -544.418928 0.825340 BFGS: 43 00:28:42 -544.547797 0.810658 BFGS: 44 00:28:43 -544.675320 0.796010 BFGS: 45 00:28:44 -544.801394 0.781398 BFGS: 46 00:28:45 -544.925928 0.766823 BFGS: 47 00:28:46 -545.048837 0.752288 BFGS: 48 00:28:47 -545.170046 0.737794 BFGS: 49 00:28:48 -545.289486 0.723342 BFGS: 50 00:28:49 -545.407095 0.708933 BFGS: 51 00:28:50 -545.522820 0.694569 BFGS: 52 00:28:51 -545.636612 0.680251 BFGS: 53 00:28:52 -545.748427 0.665978 BFGS: 54 00:28:53 -545.858228 0.651753 BFGS: 55 00:28:54 -545.965980 0.637575 BFGS: 56 00:28:55 -546.071655 0.623446 BFGS: 57 00:28:56 -546.175225 0.609366 BFGS: 58 00:28:57 -546.276671 0.595336 BFGS: 59 00:28:58 -546.375971 0.581355 BFGS: 60 00:28:59 -546.473109 0.567425 BFGS: 61 00:29:01 -546.568073 0.553545 BFGS: 62 00:29:02 -546.660849 0.539716 BFGS: 63 00:29:03 -546.751428 0.525938 BFGS: 64 00:29:04 -546.839802 0.512212 BFGS: 65 00:29:05 -546.925966 0.498536 BFGS: 66 00:29:06 -547.009913 0.484913 BFGS: 67 00:29:07 -547.091641 0.471341 BFGS: 68 00:29:08 -547.171148 0.457821 BFGS: 69 00:29:09 -547.248431 0.444353 BFGS: 70 00:29:10 -547.323491 0.430937 BFGS: 71 00:29:11 -547.396328 0.417573 BFGS: 72 00:29:12 -547.466943 0.404261 BFGS: 73 00:29:13 -547.535338 0.391000 BFGS: 74 00:29:14 -547.601515 0.377792 BFGS: 75 00:29:15 -547.665478 0.364636 BFGS: 76 00:29:16 -547.727230 0.351532 BFGS: 77 00:29:17 -547.786775 0.338479 BFGS: 78 00:29:18 -547.844116 0.325479 BFGS: 79 00:29:19 -547.899259 0.312530 BFGS: 80 00:29:20 -547.952208 0.299634 BFGS: 81 00:29:21 -548.002968 0.286788 BFGS: 82 00:29:22 -548.051545 0.273995 BFGS: 83 00:29:23 -548.097944 0.261253 BFGS: 84 00:29:24 -548.142170 0.248562 BFGS: 85 00:29:24 -548.184231 0.235923 BFGS: 86 00:29:25 -548.224131 0.223336 BFGS: 87 00:29:26 -548.261876 0.210799 BFGS: 88 00:29:27 -548.297473 0.198314 BFGS: 89 00:29:29 -548.330928 0.185880 BFGS: 90 00:29:30 -548.362247 0.173497 BFGS: 91 00:29:31 -548.391436 0.161165 BFGS: 92 00:29:32 -548.418502 0.148883 BFGS: 93 00:29:33 -548.443452 0.136653 BFGS: 94 00:29:34 -548.466290 0.124472 BFGS: 95 00:29:35 -548.487025 0.112343 BFGS: 96 00:29:36 -548.505662 0.100264 BFGS: 97 00:29:37 -548.522206 0.088235 BFGS: 98 00:29:39 -548.536665 0.076257 BFGS: 99 00:29:40 -548.549044 0.064329 BFGS: 100 00:29:41 -548.559349 0.052451 BFGS: 101 00:29:42 -548.567585 0.040623 BFGS: 102 00:29:43 -548.573756 0.028845 BFGS: 103 00:29:44 -548.577868 0.017117 BFGS: 104 00:29:45 -548.579921 0.005439 BFGS: 105 00:29:46 -548.580176 0.001231 BFGS: 106 00:29:47 -548.580176 0.001101 BFGS: 107 00:29:48 -548.580180 0.000151 BFGS: 108 00:29:49 -548.580180 0.000108 BFGS: 109 00:29:51 -548.580180 0.000042 BFGS: 110 00:29:52 -548.580180 0.000026 BFGS: 111 00:29:53 -548.580180 0.000013 BFGS: 112 00:29:54 -548.580180 0.000004 BFGS: 113 00:29:55 -548.580180 0.000000 BFGS: 114 00:29:56 -548.580180 0.000000 BFGS: 115 00:29:57 -548.580180 0.000000 Minimization converged after 115 steps. Maximum force component: 5.24288885251958e-09 eV/Angstrom Maximum stress component: 1.1239645752399274e-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 = [[1.03525062e-32 8.59169210e-33 0.00000000e+00] [1.59832162e-33 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 1.51066796e-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([[15.29863603146739, -1.6595092422647098e-31, -6.421427386658397e-32], [1.3852987089286542e-32, 15.29863603146739, -2.3876809663404754e-18], [-2.8789912575222317e-32, -2.387680966340476e-18, 15.29863603146739]]) forces = [[-6.91424242e-31 -1.19427824e-30 -1.25713499e-31] [-5.02853995e-31 -5.02853995e-31 6.91424242e-31] [-1.00570799e-30 -1.96202934e-50 1.25713499e-31] [-6.28567493e-31 -6.91424242e-31 1.88570248e-31] [-5.02853995e-31 -5.02853995e-31 5.61782197e-31] [-7.14995523e-31 -5.02853995e-31 -7.54280992e-31] [-3.29997934e-31 1.11570730e-30 8.95708678e-31] [ 2.51426997e-31 -7.85709366e-32 -5.02853995e-31] [ 4.25251238e-09 4.25251238e-09 4.25251238e-09] [-4.25251238e-09 -4.25251238e-09 4.25251238e-09] [-4.25251238e-09 4.25251238e-09 -4.25251238e-09] [ 4.25251238e-09 -4.25251238e-09 -4.25251238e-09] [ 4.25251238e-09 4.25251238e-09 -4.25251238e-09] [-4.25251238e-09 -4.25251238e-09 -4.25251238e-09] [ 4.25251238e-09 -4.25251238e-09 4.25251238e-09] [-4.25251238e-09 4.25251238e-09 4.25251238e-09] [ 4.25251238e-09 4.25251238e-09 -4.25251238e-09] [ 4.25251238e-09 -4.25251238e-09 4.25251238e-09] [-4.25251238e-09 4.25251238e-09 4.25251238e-09] [-4.25251238e-09 -4.25251238e-09 4.25251238e-09] [-4.25251238e-09 4.25251238e-09 -4.25251238e-09] [ 4.25251238e-09 -4.25251238e-09 -4.25251238e-09] [ 4.25251238e-09 4.25251238e-09 4.25251238e-09] [-4.25251238e-09 -4.25251238e-09 4.25251238e-09] [-4.25251238e-09 4.25251238e-09 -4.25251238e-09] [ 4.25251238e-09 4.25251238e-09 -4.25251238e-09] [-4.25251238e-09 -4.25251238e-09 -4.25251238e-09] [ 4.25251238e-09 -4.25251238e-09 4.25251238e-09] [ 4.25251238e-09 4.25251238e-09 -4.25251238e-09] [ 4.25251238e-09 -4.25251238e-09 4.25251238e-09] [-4.25251238e-09 -4.25251238e-09 4.25251238e-09] [-4.25251238e-09 4.25251238e-09 -4.25251238e-09] [ 4.25251238e-09 4.25251238e-09 4.25251238e-09] [ 4.25251238e-09 -4.25251238e-09 -4.25251238e-09] [-4.25251238e-09 -4.25251238e-09 -4.25251238e-09] [-4.25251238e-09 4.25251238e-09 4.25251238e-09] [-4.25251238e-09 4.25251238e-09 4.25251238e-09] [ 4.25251238e-09 -4.25251238e-09 -4.25251238e-09] [ 4.25251238e-09 4.25251238e-09 4.25251238e-09] [-4.25251238e-09 -4.25251238e-09 -4.25251238e-09] [ 5.24288885e-09 5.24288885e-09 2.37050955e-09] [-5.24288885e-09 -5.24288885e-09 2.37050955e-09] [-5.24288885e-09 5.24288885e-09 -2.37050955e-09] [ 5.24288885e-09 -5.24288885e-09 -2.37050955e-09] [ 2.37050955e-09 5.24288885e-09 5.24288885e-09] [ 2.37050955e-09 -5.24288885e-09 -5.24288885e-09] [-2.37050955e-09 -5.24288885e-09 5.24288885e-09] [-2.37050955e-09 5.24288885e-09 -5.24288885e-09] [ 5.24288885e-09 2.37050955e-09 5.24288885e-09] [-5.24288885e-09 2.37050955e-09 -5.24288885e-09] [ 5.24288885e-09 -2.37050955e-09 -5.24288885e-09] [-5.24288885e-09 -2.37050955e-09 5.24288885e-09] [ 5.24288885e-09 5.24288885e-09 -2.37050955e-09] [-5.24288885e-09 -5.24288885e-09 -2.37050955e-09] [ 5.24288885e-09 -5.24288885e-09 2.37050955e-09] [-5.24288885e-09 5.24288885e-09 2.37050955e-09] [ 5.24288885e-09 2.37050955e-09 -5.24288885e-09] [-5.24288885e-09 2.37050955e-09 5.24288885e-09] [-5.24288885e-09 -2.37050955e-09 -5.24288885e-09] [ 5.24288885e-09 -2.37050955e-09 5.24288885e-09] [ 2.37050955e-09 5.24288885e-09 -5.24288885e-09] [ 2.37050955e-09 -5.24288885e-09 5.24288885e-09] [-2.37050955e-09 5.24288885e-09 5.24288885e-09] [-2.37050955e-09 -5.24288885e-09 -5.24288885e-09] [ 5.24288885e-09 5.24288885e-09 -2.37050955e-09] [ 5.24288885e-09 -5.24288885e-09 2.37050955e-09] [-5.24288885e-09 5.24288885e-09 2.37050955e-09] [-2.37050955e-09 5.24288885e-09 5.24288885e-09] [ 2.37050955e-09 5.24288885e-09 -5.24288885e-09] [ 2.37050955e-09 -5.24288885e-09 5.24288885e-09] [ 5.24288885e-09 -2.37050955e-09 5.24288885e-09] [-5.24288885e-09 2.37050955e-09 5.24288885e-09] [ 5.24288885e-09 2.37050955e-09 -5.24288885e-09] [-5.24288885e-09 -5.24288885e-09 2.37050955e-09] [-5.24288885e-09 5.24288885e-09 -2.37050955e-09] [ 5.24288885e-09 -5.24288885e-09 -2.37050955e-09] [-5.24288885e-09 -2.37050955e-09 5.24288885e-09] [ 5.24288885e-09 -2.37050955e-09 -5.24288885e-09] [-5.24288885e-09 2.37050955e-09 -5.24288885e-09] [-2.37050955e-09 -5.24288885e-09 5.24288885e-09] [-2.37050955e-09 5.24288885e-09 -5.24288885e-09] [ 2.37050955e-09 -5.24288885e-09 -5.24288885e-09] [ 5.24288885e-09 5.24288885e-09 2.37050955e-09] [-5.24288885e-09 -5.24288885e-09 2.37050955e-09] [-5.24288885e-09 5.24288885e-09 -2.37050955e-09] [ 2.37050955e-09 5.24288885e-09 5.24288885e-09] [-2.37050955e-09 -5.24288885e-09 5.24288885e-09] [-2.37050955e-09 5.24288885e-09 -5.24288885e-09] [ 5.24288885e-09 2.37050955e-09 5.24288885e-09] [-5.24288885e-09 2.37050955e-09 -5.24288885e-09] [-5.24288885e-09 -2.37050955e-09 5.24288885e-09] [ 5.24288885e-09 5.24288885e-09 -2.37050955e-09] [-5.24288885e-09 -5.24288885e-09 -2.37050955e-09] [ 5.24288885e-09 -5.24288885e-09 2.37050955e-09] [ 5.24288885e-09 2.37050955e-09 -5.24288885e-09] [-5.24288885e-09 -2.37050955e-09 -5.24288885e-09] [ 5.24288885e-09 -2.37050955e-09 5.24288885e-09] [ 2.37050955e-09 5.24288885e-09 -5.24288885e-09] [ 2.37050955e-09 -5.24288885e-09 5.24288885e-09] [-2.37050955e-09 -5.24288885e-09 -5.24288885e-09] [ 5.24288885e-09 5.24288885e-09 -2.37050955e-09] [ 5.24288885e-09 -5.24288885e-09 2.37050955e-09] [ 2.37050955e-09 5.24288885e-09 -5.24288885e-09] [ 2.37050955e-09 -5.24288885e-09 5.24288885e-09] [ 5.24288885e-09 -2.37050955e-09 5.24288885e-09] [ 5.24288885e-09 2.37050955e-09 -5.24288885e-09] [-5.24288885e-09 -5.24288885e-09 2.37050955e-09] [-5.24288885e-09 5.24288885e-09 -2.37050955e-09] [-5.24288885e-09 -2.37050955e-09 5.24288885e-09] [-5.24288885e-09 2.37050955e-09 -5.24288885e-09] [-2.37050955e-09 -5.24288885e-09 5.24288885e-09] [-2.37050955e-09 5.24288885e-09 -5.24288885e-09] [ 5.24288885e-09 5.24288885e-09 2.37050955e-09] [ 5.24288885e-09 -5.24288885e-09 -2.37050955e-09] [ 2.37050955e-09 5.24288885e-09 5.24288885e-09] [ 2.37050955e-09 -5.24288885e-09 -5.24288885e-09] [ 5.24288885e-09 2.37050955e-09 5.24288885e-09] [ 5.24288885e-09 -2.37050955e-09 -5.24288885e-09] [-5.24288885e-09 -5.24288885e-09 -2.37050955e-09] [-5.24288885e-09 5.24288885e-09 2.37050955e-09] [-5.24288885e-09 2.37050955e-09 5.24288885e-09] [-5.24288885e-09 -2.37050955e-09 -5.24288885e-09] [-2.37050955e-09 5.24288885e-09 5.24288885e-09] [-2.37050955e-09 -5.24288885e-09 -5.24288885e-09] [-5.24288885e-09 5.24288885e-09 2.37050955e-09] [-2.37050955e-09 5.24288885e-09 5.24288885e-09] [-5.24288885e-09 2.37050955e-09 5.24288885e-09] [ 5.24288885e-09 -5.24288885e-09 -2.37050955e-09] [ 5.24288885e-09 -2.37050955e-09 -5.24288885e-09] [ 2.37050955e-09 -5.24288885e-09 -5.24288885e-09] [ 5.24288885e-09 5.24288885e-09 2.37050955e-09] [ 2.37050955e-09 5.24288885e-09 5.24288885e-09] [ 5.24288885e-09 2.37050955e-09 5.24288885e-09] [-5.24288885e-09 -5.24288885e-09 -2.37050955e-09] [-5.24288885e-09 -2.37050955e-09 -5.24288885e-09] [-2.37050955e-09 -5.24288885e-09 -5.24288885e-09]] stress = [ 1.12396458e-10 1.12396458e-10 1.12396458e-10 5.61563468e-28 -8.04562093e-59 5.05703054e-59] energy per atom = -4.033677794817187 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0