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 16:40:49 -526.663850 1.6522 BFGS: 1 16:40:50 -528.848533 1.5755 BFGS: 2 16:40:50 -530.120981 1.5289 BFGS: 3 16:40:51 -531.203729 1.4959 BFGS: 4 16:40:51 -532.230783 1.4671 BFGS: 5 16:40:52 -533.233613 1.4398 BFGS: 6 16:40:53 -534.212469 1.4135 BFGS: 7 16:40:54 -535.159838 1.3883 BFGS: 8 16:40:55 -536.065970 1.3642 BFGS: 9 16:40:56 -536.921382 1.3413 BFGS: 10 16:40:57 -537.718008 1.3195 BFGS: 11 16:40:57 -538.449271 1.2988 BFGS: 12 16:40:58 -539.109199 1.2790 BFGS: 13 16:40:59 -539.691143 1.2601 BFGS: 14 16:41:00 -540.187513 1.2421 BFGS: 15 16:41:01 -540.592274 1.2250 BFGS: 16 16:41:02 -540.906162 1.2088 BFGS: 17 16:41:03 -541.140782 1.1935 BFGS: 18 16:41:05 -541.316923 1.1788 BFGS: 19 16:41:06 -541.457518 1.1644 BFGS: 20 16:41:07 -541.580748 1.1500 BFGS: 21 16:41:08 -541.697680 1.1356 BFGS: 22 16:41:09 -541.813841 1.1211 BFGS: 23 16:41:10 -541.931595 1.1065 BFGS: 24 16:41:10 -542.051777 1.0919 BFGS: 25 16:41:11 -542.174532 1.0772 BFGS: 26 16:41:11 -542.299717 1.0625 BFGS: 27 16:41:12 -542.427072 1.0477 BFGS: 28 16:41:12 -542.556302 1.0329 BFGS: 29 16:41:13 -542.687109 1.0180 BFGS: 30 16:41:14 -542.819202 1.0032 BFGS: 31 16:41:14 -542.952308 0.9883 BFGS: 32 16:41:15 -543.086167 0.9735 BFGS: 33 16:41:16 -543.220534 0.9586 BFGS: 34 16:41:17 -543.355178 0.9437 BFGS: 35 16:41:17 -543.489882 0.9289 BFGS: 36 16:41:18 -543.624443 0.9140 BFGS: 37 16:41:19 -543.758669 0.8992 BFGS: 38 16:41:19 -543.892381 0.8844 BFGS: 39 16:41:20 -544.025413 0.8696 BFGS: 40 16:41:21 -544.157608 0.8548 BFGS: 41 16:41:21 -544.288824 0.8401 BFGS: 42 16:41:22 -544.418928 0.8253 BFGS: 43 16:41:22 -544.547797 0.8107 BFGS: 44 16:41:23 -544.675320 0.7960 BFGS: 45 16:41:24 -544.801394 0.7814 BFGS: 46 16:41:25 -544.925928 0.7668 BFGS: 47 16:41:26 -545.048837 0.7523 BFGS: 48 16:41:27 -545.170046 0.7378 BFGS: 49 16:41:27 -545.289486 0.7233 BFGS: 50 16:41:28 -545.407095 0.7089 BFGS: 51 16:41:29 -545.522820 0.6946 BFGS: 52 16:41:30 -545.636612 0.6803 BFGS: 53 16:41:31 -545.748427 0.6660 BFGS: 54 16:41:31 -545.858228 0.6518 BFGS: 55 16:41:32 -545.965980 0.6376 BFGS: 56 16:41:32 -546.071655 0.6234 BFGS: 57 16:41:33 -546.175225 0.6094 BFGS: 58 16:41:33 -546.276671 0.5953 BFGS: 59 16:41:34 -546.375971 0.5814 BFGS: 60 16:41:35 -546.473109 0.5674 BFGS: 61 16:41:36 -546.568073 0.5535 BFGS: 62 16:41:36 -546.660849 0.5397 BFGS: 63 16:41:37 -546.751428 0.5259 BFGS: 64 16:41:37 -546.839802 0.5122 BFGS: 65 16:41:38 -546.925966 0.4985 BFGS: 66 16:41:39 -547.009913 0.4849 BFGS: 67 16:41:39 -547.091641 0.4713 BFGS: 68 16:41:40 -547.171148 0.4578 BFGS: 69 16:41:41 -547.248431 0.4444 BFGS: 70 16:41:42 -547.323491 0.4309 BFGS: 71 16:41:42 -547.396328 0.4176 BFGS: 72 16:41:43 -547.466943 0.4043 BFGS: 73 16:41:44 -547.535338 0.3910 BFGS: 74 16:41:45 -547.601515 0.3778 BFGS: 75 16:41:45 -547.665478 0.3646 BFGS: 76 16:41:46 -547.727230 0.3515 BFGS: 77 16:41:47 -547.786775 0.3385 BFGS: 78 16:41:47 -547.844116 0.3255 BFGS: 79 16:41:48 -547.899259 0.3125 BFGS: 80 16:41:49 -547.952208 0.2996 BFGS: 81 16:41:49 -548.002968 0.2868 BFGS: 82 16:41:50 -548.051545 0.2740 BFGS: 83 16:41:51 -548.097944 0.2613 BFGS: 84 16:41:51 -548.142170 0.2486 BFGS: 85 16:41:52 -548.184231 0.2359 BFGS: 86 16:41:52 -548.224131 0.2233 BFGS: 87 16:41:53 -548.261876 0.2108 BFGS: 88 16:41:54 -548.297473 0.1983 BFGS: 89 16:41:55 -548.330928 0.1859 BFGS: 90 16:41:55 -548.362247 0.1735 BFGS: 91 16:41:56 -548.391436 0.1612 BFGS: 92 16:41:56 -548.418502 0.1489 BFGS: 93 16:41:57 -548.443452 0.1367 BFGS: 94 16:41:58 -548.466290 0.1245 BFGS: 95 16:41:58 -548.487025 0.1123 BFGS: 96 16:41:59 -548.505662 0.1003 BFGS: 97 16:41:59 -548.522206 0.0882 BFGS: 98 16:42:00 -548.536665 0.0763 BFGS: 99 16:42:01 -548.549044 0.0643 BFGS: 100 16:42:01 -548.559349 0.0525 BFGS: 101 16:42:02 -548.567585 0.0406 BFGS: 102 16:42:02 -548.573756 0.0288 BFGS: 103 16:42:02 -548.577868 0.0171 BFGS: 104 16:42:03 -548.579921 0.0054 BFGS: 105 16:42:03 -548.580176 0.0012 BFGS: 106 16:42:04 -548.580176 0.0011 BFGS: 107 16:42:04 -548.580180 0.0002 BFGS: 108 16:42:05 -548.580180 0.0001 BFGS: 109 16:42:06 -548.580180 0.0000 BFGS: 110 16:42:07 -548.580180 0.0000 BFGS: 111 16:42:07 -548.580180 0.0000 BFGS: 112 16:42:08 -548.580180 0.0000 BFGS: 113 16:42:09 -548.580180 0.0000 BFGS: 114 16:42:10 -548.580180 0.0000 BFGS: 115 16:42:10 -548.580180 0.0000 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