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 18:14:55 -526.663850 1.6522 BFGS: 1 18:14:56 -528.848533 1.5755 BFGS: 2 18:14:57 -530.120981 1.5289 BFGS: 3 18:14:57 -531.203729 1.4959 BFGS: 4 18:14:57 -532.230784 1.4671 BFGS: 5 18:14:58 -533.233613 1.4398 BFGS: 6 18:15:01 -534.212469 1.4135 BFGS: 7 18:15:03 -535.159839 1.3883 BFGS: 8 18:15:04 -536.065970 1.3642 BFGS: 9 18:15:05 -536.921382 1.3413 BFGS: 10 18:15:07 -537.718008 1.3195 BFGS: 11 18:15:09 -538.449271 1.2988 BFGS: 12 18:15:11 -539.109199 1.2790 BFGS: 13 18:15:13 -539.691144 1.2601 BFGS: 14 18:15:14 -540.187513 1.2421 BFGS: 15 18:15:15 -540.592275 1.2250 BFGS: 16 18:15:16 -540.906162 1.2088 BFGS: 17 18:15:17 -541.140782 1.1935 BFGS: 18 18:15:18 -541.316922 1.1788 BFGS: 19 18:15:20 -541.457518 1.1644 BFGS: 20 18:15:21 -541.580748 1.1500 BFGS: 21 18:15:24 -541.697680 1.1356 BFGS: 22 18:15:25 -541.813841 1.1211 BFGS: 23 18:15:26 -541.931595 1.1065 BFGS: 24 18:15:29 -542.051776 1.0919 BFGS: 25 18:15:30 -542.174532 1.0772 BFGS: 26 18:15:31 -542.299716 1.0625 BFGS: 27 18:15:33 -542.427072 1.0477 BFGS: 28 18:15:33 -542.556302 1.0329 BFGS: 29 18:15:34 -542.687109 1.0180 BFGS: 30 18:15:35 -542.819202 1.0032 BFGS: 31 18:15:36 -542.952308 0.9883 BFGS: 32 18:15:36 -543.086167 0.9735 BFGS: 33 18:15:37 -543.220534 0.9586 BFGS: 34 18:15:38 -543.355178 0.9437 BFGS: 35 18:15:39 -543.489882 0.9289 BFGS: 36 18:15:40 -543.624443 0.9140 BFGS: 37 18:15:41 -543.758669 0.8992 BFGS: 38 18:15:42 -543.892381 0.8844 BFGS: 39 18:15:43 -544.025413 0.8696 BFGS: 40 18:15:43 -544.157608 0.8548 BFGS: 41 18:15:44 -544.288824 0.8401 BFGS: 42 18:15:45 -544.418928 0.8253 BFGS: 43 18:15:46 -544.547797 0.8107 BFGS: 44 18:15:46 -544.675320 0.7960 BFGS: 45 18:15:47 -544.801394 0.7814 BFGS: 46 18:15:48 -544.925928 0.7668 BFGS: 47 18:15:49 -545.048838 0.7523 BFGS: 48 18:15:50 -545.170046 0.7378 BFGS: 49 18:15:51 -545.289486 0.7233 BFGS: 50 18:15:52 -545.407095 0.7089 BFGS: 51 18:15:54 -545.522821 0.6946 BFGS: 52 18:15:56 -545.636612 0.6803 BFGS: 53 18:15:56 -545.748428 0.6660 BFGS: 54 18:15:57 -545.858228 0.6518 BFGS: 55 18:15:58 -545.965980 0.6376 BFGS: 56 18:16:00 -546.071655 0.6234 BFGS: 57 18:16:02 -546.175226 0.6094 BFGS: 58 18:16:03 -546.276671 0.5953 BFGS: 59 18:16:04 -546.375971 0.5814 BFGS: 60 18:16:05 -546.473110 0.5674 BFGS: 61 18:16:06 -546.568073 0.5535 BFGS: 62 18:16:08 -546.660849 0.5397 BFGS: 63 18:16:10 -546.751428 0.5259 BFGS: 64 18:16:11 -546.839802 0.5122 BFGS: 65 18:16:13 -546.925966 0.4985 BFGS: 66 18:16:14 -547.009913 0.4849 BFGS: 67 18:16:15 -547.091641 0.4713 BFGS: 68 18:16:16 -547.171148 0.4578 BFGS: 69 18:16:18 -547.248431 0.4444 BFGS: 70 18:16:18 -547.323491 0.4309 BFGS: 71 18:16:19 -547.396328 0.4176 BFGS: 72 18:16:20 -547.466943 0.4043 BFGS: 73 18:16:20 -547.535338 0.3910 BFGS: 74 18:16:22 -547.601516 0.3778 BFGS: 75 18:16:23 -547.665478 0.3646 BFGS: 76 18:16:24 -547.727230 0.3515 BFGS: 77 18:16:25 -547.786775 0.3385 BFGS: 78 18:16:26 -547.844116 0.3255 BFGS: 79 18:16:28 -547.899259 0.3125 BFGS: 80 18:16:29 -547.952208 0.2996 BFGS: 81 18:16:30 -548.002968 0.2868 BFGS: 82 18:16:31 -548.051545 0.2740 BFGS: 83 18:16:32 -548.097944 0.2613 BFGS: 84 18:16:32 -548.142171 0.2486 BFGS: 85 18:16:33 -548.184231 0.2359 BFGS: 86 18:16:33 -548.224131 0.2233 BFGS: 87 18:16:34 -548.261876 0.2108 BFGS: 88 18:16:34 -548.297473 0.1983 BFGS: 89 18:16:35 -548.330928 0.1859 BFGS: 90 18:16:36 -548.362247 0.1735 BFGS: 91 18:16:37 -548.391436 0.1612 BFGS: 92 18:16:38 -548.418502 0.1489 BFGS: 93 18:16:39 -548.443452 0.1367 BFGS: 94 18:16:40 -548.466290 0.1245 BFGS: 95 18:16:41 -548.487025 0.1123 BFGS: 96 18:16:43 -548.505662 0.1003 BFGS: 97 18:16:44 -548.522206 0.0882 BFGS: 98 18:16:45 -548.536665 0.0763 BFGS: 99 18:16:46 -548.549044 0.0643 BFGS: 100 18:16:47 -548.559349 0.0525 BFGS: 101 18:16:48 -548.567585 0.0406 BFGS: 102 18:16:49 -548.573756 0.0288 BFGS: 103 18:16:50 -548.577868 0.0171 BFGS: 104 18:16:52 -548.579921 0.0054 BFGS: 105 18:16:53 -548.580176 0.0012 BFGS: 106 18:16:54 -548.580176 0.0011 BFGS: 107 18:16:55 -548.580180 0.0002 BFGS: 108 18:16:56 -548.580180 0.0001 BFGS: 109 18:16:57 -548.580180 0.0000 BFGS: 110 18:16:57 -548.580180 0.0000 BFGS: 111 18:16:58 -548.580180 0.0000 BFGS: 112 18:16:59 -548.580180 0.0000 BFGS: 113 18:17:00 -548.580180 0.0000 BFGS: 114 18:17:00 -548.580180 0.0000 BFGS: 115 18:17:01 -548.580180 0.0000 Minimization converged after 115 steps. Maximum force component: 5.242932345217448e-09 eV/Angstrom Maximum stress component: 1.1239615919568973e-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 = [[5.13142158e-33 0.00000000e+00 4.27683188e-35] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 9.84451956e-33] [5.00000000e-01 1.40492121e-32 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, 1.6488050541008225e-32, 6.33229801274857e-33], [6.96153394446369e-33, 15.29863603146739, -6.087360799205021e-18], [-2.1188775479542337e-31, -6.0873607992049555e-18, 15.29863603146739]]) forces = [[-1.25713499e-31 -7.54280992e-31 9.42851240e-32] [ 3.14283747e-31 -2.51426997e-31 -1.88570248e-31] [-5.97139118e-31 2.51426997e-31 -3.77140496e-31] [ 3.77140496e-31 4.06461827e-64 1.56103198e-64] [-4.71425620e-32 2.51426997e-31 3.14283747e-31] [ 4.24283058e-31 1.24142080e-30 2.59284091e-31] [-3.45712121e-31 7.85709366e-31 1.57141873e-32] [ 4.87139807e-31 -2.51426997e-31 1.41427686e-31] [ 4.25251931e-09 4.25251931e-09 4.25251931e-09] [-4.25251931e-09 -4.25251931e-09 4.25251931e-09] [-4.25251931e-09 4.25251931e-09 -4.25251931e-09] [ 4.25251931e-09 -4.25251931e-09 -4.25251931e-09] [ 4.25251931e-09 4.25251931e-09 -4.25251931e-09] [-4.25251931e-09 -4.25251931e-09 -4.25251931e-09] [ 4.25251931e-09 -4.25251931e-09 4.25251931e-09] [-4.25251931e-09 4.25251931e-09 4.25251931e-09] [ 4.25251931e-09 4.25251931e-09 -4.25251931e-09] [ 4.25251931e-09 -4.25251931e-09 4.25251931e-09] [-4.25251931e-09 4.25251931e-09 4.25251931e-09] [-4.25251931e-09 -4.25251931e-09 4.25251931e-09] [-4.25251931e-09 4.25251931e-09 -4.25251931e-09] [ 4.25251931e-09 -4.25251931e-09 -4.25251931e-09] [ 4.25251931e-09 4.25251931e-09 4.25251931e-09] [-4.25251931e-09 -4.25251931e-09 4.25251931e-09] [-4.25251931e-09 4.25251931e-09 -4.25251931e-09] [ 4.25251931e-09 4.25251931e-09 -4.25251931e-09] [-4.25251931e-09 -4.25251931e-09 -4.25251931e-09] [ 4.25251931e-09 -4.25251931e-09 4.25251931e-09] [ 4.25251931e-09 4.25251931e-09 -4.25251931e-09] [ 4.25251931e-09 -4.25251931e-09 4.25251931e-09] [-4.25251931e-09 -4.25251931e-09 4.25251931e-09] [-4.25251931e-09 4.25251931e-09 -4.25251931e-09] [ 4.25251931e-09 4.25251931e-09 4.25251931e-09] [ 4.25251931e-09 -4.25251931e-09 -4.25251931e-09] [-4.25251931e-09 -4.25251931e-09 -4.25251931e-09] [-4.25251931e-09 4.25251931e-09 4.25251931e-09] [-4.25251931e-09 4.25251931e-09 4.25251931e-09] [ 4.25251931e-09 -4.25251931e-09 -4.25251931e-09] [ 4.25251931e-09 4.25251931e-09 4.25251931e-09] [-4.25251931e-09 -4.25251931e-09 -4.25251931e-09] [ 5.24293235e-09 5.24293235e-09 2.37051709e-09] [-5.24293235e-09 -5.24293235e-09 2.37051709e-09] [-5.24293235e-09 5.24293235e-09 -2.37051709e-09] [ 5.24293235e-09 -5.24293235e-09 -2.37051709e-09] [ 2.37051709e-09 5.24293235e-09 5.24293235e-09] [ 2.37051709e-09 -5.24293235e-09 -5.24293235e-09] [-2.37051709e-09 -5.24293235e-09 5.24293235e-09] [-2.37051709e-09 5.24293235e-09 -5.24293235e-09] [ 5.24293235e-09 2.37051709e-09 5.24293235e-09] [-5.24293235e-09 2.37051709e-09 -5.24293235e-09] [ 5.24293235e-09 -2.37051709e-09 -5.24293235e-09] [-5.24293235e-09 -2.37051709e-09 5.24293235e-09] [ 5.24293235e-09 5.24293235e-09 -2.37051709e-09] [-5.24293235e-09 -5.24293235e-09 -2.37051709e-09] [ 5.24293235e-09 -5.24293235e-09 2.37051709e-09] [-5.24293235e-09 5.24293235e-09 2.37051709e-09] [ 5.24293235e-09 2.37051709e-09 -5.24293235e-09] [-5.24293235e-09 2.37051709e-09 5.24293235e-09] [-5.24293235e-09 -2.37051709e-09 -5.24293235e-09] [ 5.24293235e-09 -2.37051709e-09 5.24293235e-09] [ 2.37051709e-09 5.24293235e-09 -5.24293235e-09] [ 2.37051709e-09 -5.24293235e-09 5.24293235e-09] [-2.37051709e-09 5.24293235e-09 5.24293235e-09] [-2.37051709e-09 -5.24293235e-09 -5.24293235e-09] [ 5.24293235e-09 5.24293235e-09 -2.37051709e-09] [ 5.24293235e-09 -5.24293235e-09 2.37051709e-09] [-5.24293235e-09 5.24293235e-09 2.37051709e-09] [-2.37051709e-09 5.24293235e-09 5.24293235e-09] [ 2.37051709e-09 5.24293235e-09 -5.24293235e-09] [ 2.37051709e-09 -5.24293235e-09 5.24293235e-09] [ 5.24293235e-09 -2.37051709e-09 5.24293235e-09] [-5.24293235e-09 2.37051709e-09 5.24293235e-09] [ 5.24293235e-09 2.37051709e-09 -5.24293235e-09] [-5.24293235e-09 -5.24293235e-09 2.37051709e-09] [-5.24293235e-09 5.24293235e-09 -2.37051709e-09] [ 5.24293235e-09 -5.24293235e-09 -2.37051709e-09] [-5.24293235e-09 -2.37051709e-09 5.24293235e-09] [ 5.24293235e-09 -2.37051709e-09 -5.24293235e-09] [-5.24293235e-09 2.37051709e-09 -5.24293235e-09] [-2.37051709e-09 -5.24293235e-09 5.24293235e-09] [-2.37051709e-09 5.24293235e-09 -5.24293235e-09] [ 2.37051709e-09 -5.24293235e-09 -5.24293235e-09] [ 5.24293235e-09 5.24293235e-09 2.37051709e-09] [-5.24293235e-09 -5.24293235e-09 2.37051709e-09] [-5.24293235e-09 5.24293235e-09 -2.37051709e-09] [ 2.37051709e-09 5.24293235e-09 5.24293235e-09] [-2.37051709e-09 -5.24293235e-09 5.24293235e-09] [-2.37051709e-09 5.24293235e-09 -5.24293235e-09] [ 5.24293235e-09 2.37051709e-09 5.24293235e-09] [-5.24293235e-09 2.37051709e-09 -5.24293235e-09] [-5.24293235e-09 -2.37051709e-09 5.24293235e-09] [ 5.24293235e-09 5.24293235e-09 -2.37051709e-09] [-5.24293235e-09 -5.24293235e-09 -2.37051709e-09] [ 5.24293235e-09 -5.24293235e-09 2.37051709e-09] [ 5.24293235e-09 2.37051709e-09 -5.24293235e-09] [-5.24293235e-09 -2.37051709e-09 -5.24293235e-09] [ 5.24293235e-09 -2.37051709e-09 5.24293235e-09] [ 2.37051709e-09 5.24293235e-09 -5.24293235e-09] [ 2.37051709e-09 -5.24293235e-09 5.24293235e-09] [-2.37051709e-09 -5.24293235e-09 -5.24293235e-09] [ 5.24293235e-09 5.24293235e-09 -2.37051709e-09] [ 5.24293235e-09 -5.24293235e-09 2.37051709e-09] [ 2.37051709e-09 5.24293235e-09 -5.24293235e-09] [ 2.37051709e-09 -5.24293235e-09 5.24293235e-09] [ 5.24293235e-09 -2.37051709e-09 5.24293235e-09] [ 5.24293235e-09 2.37051709e-09 -5.24293235e-09] [-5.24293235e-09 -5.24293235e-09 2.37051709e-09] [-5.24293235e-09 5.24293235e-09 -2.37051709e-09] [-5.24293235e-09 -2.37051709e-09 5.24293235e-09] [-5.24293235e-09 2.37051709e-09 -5.24293235e-09] [-2.37051709e-09 -5.24293235e-09 5.24293235e-09] [-2.37051709e-09 5.24293235e-09 -5.24293235e-09] [ 5.24293235e-09 5.24293235e-09 2.37051709e-09] [ 5.24293235e-09 -5.24293235e-09 -2.37051709e-09] [ 2.37051709e-09 5.24293235e-09 5.24293235e-09] [ 2.37051709e-09 -5.24293235e-09 -5.24293235e-09] [ 5.24293235e-09 2.37051709e-09 5.24293235e-09] [ 5.24293235e-09 -2.37051709e-09 -5.24293235e-09] [-5.24293235e-09 -5.24293235e-09 -2.37051709e-09] [-5.24293235e-09 5.24293235e-09 2.37051709e-09] [-5.24293235e-09 2.37051709e-09 5.24293235e-09] [-5.24293235e-09 -2.37051709e-09 -5.24293235e-09] [-2.37051709e-09 5.24293235e-09 5.24293235e-09] [-2.37051709e-09 -5.24293235e-09 -5.24293235e-09] [-5.24293235e-09 5.24293235e-09 2.37051709e-09] [-2.37051709e-09 5.24293235e-09 5.24293235e-09] [-5.24293235e-09 2.37051709e-09 5.24293235e-09] [ 5.24293235e-09 -5.24293235e-09 -2.37051709e-09] [ 5.24293235e-09 -2.37051709e-09 -5.24293235e-09] [ 2.37051709e-09 -5.24293235e-09 -5.24293235e-09] [ 5.24293235e-09 5.24293235e-09 2.37051709e-09] [ 2.37051709e-09 5.24293235e-09 5.24293235e-09] [ 5.24293235e-09 2.37051709e-09 5.24293235e-09] [-5.24293235e-09 -5.24293235e-09 -2.37051709e-09] [-5.24293235e-09 -2.37051709e-09 -5.24293235e-09] [-2.37051709e-09 -5.24293235e-09 -5.24293235e-09]] stress = [ 1.12396159e-10 1.12396159e-10 1.12396159e-10 -1.68391460e-26 -1.61311837e-58 -1.51763676e-59] energy per atom = -4.033677794817188 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0