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: ThreeBodyCluster_SRS_StephensonRadnySmith_1996_Si__MO_604248666067_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 18:06:59 -604.614761 2.716619 BFGS: 1 18:07:00 -611.132912 2.713593 BFGS: 2 18:07:01 -617.770850 2.672002 BFGS: 3 18:07:02 -622.878220 2.593260 BFGS: 4 18:07:03 -626.854266 2.484775 BFGS: 5 18:07:04 -630.077255 2.355660 BFGS: 6 18:07:05 -632.805241 2.236469 BFGS: 7 18:07:07 -635.079674 2.174078 BFGS: 8 18:07:08 -636.975262 2.150103 BFGS: 9 18:07:09 -638.689753 2.124919 BFGS: 10 18:07:11 -640.310534 2.086753 BFGS: 11 18:07:12 -641.833888 2.037401 BFGS: 12 18:07:13 -643.234799 1.981068 BFGS: 13 18:07:14 -644.494751 1.921486 BFGS: 14 18:07:15 -645.607542 1.861477 BFGS: 15 18:07:16 -646.577241 1.803056 BFGS: 16 18:07:17 -647.414540 1.747617 BFGS: 17 18:07:19 -648.133624 1.696071 BFGS: 18 18:07:21 -648.749969 1.648937 BFGS: 19 18:07:24 -649.278942 1.606409 BFGS: 20 18:07:25 -649.734956 1.568405 BFGS: 21 18:07:26 -650.131013 1.534621 BFGS: 22 18:07:27 -650.478478 1.504581 BFGS: 23 18:07:28 -650.787031 1.477709 BFGS: 24 18:07:30 -651.064719 1.453380 BFGS: 25 18:07:31 -651.318094 1.430986 BFGS: 26 18:07:31 -651.552393 1.409971 BFGS: 27 18:07:33 -651.771735 1.389857 BFGS: 28 18:07:35 -651.979318 1.370257 BFGS: 29 18:07:36 -652.177597 1.350869 BFGS: 30 18:07:38 -652.368444 1.331469 BFGS: 31 18:07:39 -652.553275 1.311897 BFGS: 32 18:07:41 -652.733155 1.292043 BFGS: 33 18:07:42 -652.908879 1.271837 BFGS: 34 18:07:42 -653.081037 1.251239 BFGS: 35 18:07:44 -653.250065 1.230229 BFGS: 36 18:07:45 -653.416274 1.208800 BFGS: 37 18:07:46 -653.579886 1.186961 BFGS: 38 18:07:48 -653.741051 1.164724 BFGS: 39 18:07:50 -653.899864 1.142108 BFGS: 40 18:07:52 -654.056377 1.119135 BFGS: 41 18:07:54 -654.210608 1.095833 BFGS: 42 18:07:56 -654.362550 1.072226 BFGS: 43 18:07:59 -654.512176 1.048345 BFGS: 44 18:08:01 -654.659443 1.024218 BFGS: 45 18:08:02 -654.804297 0.999877 BFGS: 46 18:08:03 -654.946675 0.975353 BFGS: 47 18:08:04 -655.086508 0.950677 BFGS: 48 18:08:05 -655.223725 0.925881 BFGS: 49 18:08:07 -655.358252 0.900999 BFGS: 50 18:08:08 -655.490015 0.876063 BFGS: 51 18:08:09 -655.618940 0.851107 BFGS: 52 18:08:10 -655.744959 0.826163 BFGS: 53 18:08:12 -655.868005 0.801266 BFGS: 54 18:08:13 -655.988016 0.776448 BFGS: 55 18:08:15 -656.104936 0.751742 BFGS: 56 18:08:16 -656.218715 0.727180 BFGS: 57 18:08:17 -656.329309 0.702794 BFGS: 58 18:08:18 -656.436683 0.678613 BFGS: 59 18:08:20 -656.540806 0.654666 BFGS: 60 18:08:22 -656.641658 0.630979 BFGS: 61 18:08:23 -656.739225 0.607575 BFGS: 62 18:08:24 -656.833501 0.584475 BFGS: 63 18:08:25 -656.924488 0.561696 BFGS: 64 18:08:27 -657.012191 0.539252 BFGS: 65 18:08:30 -657.096625 0.517152 BFGS: 66 18:08:33 -657.177808 0.495399 BFGS: 67 18:08:35 -657.255762 0.473993 BFGS: 68 18:08:36 -657.330514 0.452930 BFGS: 69 18:08:37 -657.402089 0.432199 BFGS: 70 18:08:39 -657.470517 0.411786 BFGS: 71 18:08:41 -657.535826 0.391674 BFGS: 72 18:08:43 -657.598041 0.371843 BFGS: 73 18:08:46 -657.657188 0.352270 BFGS: 74 18:08:47 -657.713290 0.332933 BFGS: 75 18:08:49 -657.766366 0.313808 BFGS: 76 18:08:50 -657.816434 0.294874 BFGS: 77 18:08:52 -657.863509 0.276109 BFGS: 78 18:08:53 -657.907605 0.257496 BFGS: 79 18:08:54 -657.948731 0.239018 BFGS: 80 18:08:56 -657.986898 0.220663 BFGS: 81 18:08:57 -658.022115 0.202420 BFGS: 82 18:08:58 -658.054389 0.184281 BFGS: 83 18:08:59 -658.083728 0.166241 BFGS: 84 18:09:00 -658.110139 0.148296 BFGS: 85 18:09:01 -658.133631 0.130445 BFGS: 86 18:09:04 -658.154209 0.112688 BFGS: 87 18:09:05 -658.171881 0.095027 BFGS: 88 18:09:06 -658.186657 0.077467 BFGS: 89 18:09:07 -658.198544 0.060018 BFGS: 90 18:09:11 -658.207554 0.042697 BFGS: 91 18:09:13 -658.213698 0.025535 BFGS: 92 18:09:15 -658.216996 0.008868 BFGS: 93 18:09:18 -658.217642 0.006482 BFGS: 94 18:09:19 -658.217667 0.005684 BFGS: 95 18:09:20 -658.217758 0.001308 BFGS: 96 18:09:22 -658.217760 0.001172 BFGS: 97 18:09:23 -658.217763 0.000783 BFGS: 98 18:09:25 -658.217765 0.000461 BFGS: 99 18:09:27 -658.217767 0.000224 BFGS: 100 18:09:29 -658.217767 0.000054 BFGS: 101 18:09:30 -658.217767 0.000018 BFGS: 102 18:09:32 -658.217767 0.000011 BFGS: 103 18:09:33 -658.217767 0.000002 BFGS: 104 18:09:35 -658.217767 0.000000 BFGS: 105 18:09:36 -658.217767 0.000000 BFGS: 106 18:09:37 -658.217767 0.000000 Minimization converged after 106 steps. Maximum force component: 1.3021607257112467e-09 eV/Angstrom Maximum stress component: 3.0119178655056766e-11 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 9.04537570e-33 5.85481136e-33] [6.28565188e-33 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 4.34800374e-33] [5.00000000e-01 2.23467169e-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] [9.06236585e-01 9.06236585e-01 9.06236585e-01] [9.37634147e-02 5.93763415e-01 4.06236585e-01] [5.93763415e-01 4.06236585e-01 9.37634147e-02] [4.06236585e-01 9.37634147e-02 5.93763415e-01] [6.56236585e-01 1.56236585e-01 8.43763415e-01] [3.43763415e-01 3.43763415e-01 3.43763415e-01] [1.56236585e-01 8.43763415e-01 6.56236585e-01] [8.43763415e-01 6.56236585e-01 1.56236585e-01] [1.56236585e-01 6.56236585e-01 8.43763415e-01] [6.56236585e-01 8.43763415e-01 1.56236585e-01] [8.43763415e-01 1.56236585e-01 6.56236585e-01] [5.93763415e-01 9.37634147e-02 4.06236585e-01] [9.37634147e-02 4.06236585e-01 5.93763415e-01] [4.06236585e-01 5.93763415e-01 9.37634147e-02] [9.06236585e-01 4.06236585e-01 4.06236585e-01] [9.37634147e-02 9.37634147e-02 9.06236585e-01] [5.93763415e-01 9.06236585e-01 5.93763415e-01] [6.56236585e-01 6.56236585e-01 3.43763415e-01] [3.43763415e-01 8.43763415e-01 8.43763415e-01] [1.56236585e-01 3.43763415e-01 1.56236585e-01] [1.56236585e-01 1.56236585e-01 3.43763415e-01] [6.56236585e-01 3.43763415e-01 6.56236585e-01] [5.93763415e-01 5.93763415e-01 9.06236585e-01] [9.37634147e-02 9.06236585e-01 9.37634147e-02] [4.06236585e-01 9.06236585e-01 4.06236585e-01] [9.06236585e-01 9.37634147e-02 9.37634147e-02] [8.43763415e-01 3.43763415e-01 8.43763415e-01] [3.43763415e-01 6.56236585e-01 6.56236585e-01] [3.43763415e-01 1.56236585e-01 1.56236585e-01] [9.06236585e-01 5.93763415e-01 5.93763415e-01] [4.06236585e-01 4.06236585e-01 9.06236585e-01] [8.43763415e-01 8.43763415e-01 3.43763415e-01] [4.36786073e-01 4.36786073e-01 2.62899497e-01] [5.63213927e-01 6.32139266e-02 7.62899497e-01] [6.32139266e-02 9.36786073e-01 7.37100503e-01] [9.36786073e-01 5.63213927e-01 2.37100503e-01] [2.62899497e-01 4.36786073e-01 4.36786073e-01] [7.62899497e-01 5.63213927e-01 6.32139266e-02] [7.37100503e-01 6.32139266e-02 9.36786073e-01] [2.37100503e-01 9.36786073e-01 5.63213927e-01] [4.36786073e-01 2.62899497e-01 4.36786073e-01] [6.32139266e-02 7.62899497e-01 5.63213927e-01] [9.36786073e-01 7.37100503e-01 6.32139266e-02] [5.63213927e-01 2.37100503e-01 9.36786073e-01] [1.86786073e-01 6.86786073e-01 4.87100503e-01] [8.13213927e-01 8.13213927e-01 9.87100503e-01] [6.86786073e-01 3.13213927e-01 1.28994973e-02] [3.13213927e-01 1.86786073e-01 5.12899497e-01] [1.86786073e-01 5.12899497e-01 3.13213927e-01] [3.13213927e-01 1.28994973e-02 6.86786073e-01] [8.13213927e-01 9.87100503e-01 8.13213927e-01] [6.86786073e-01 4.87100503e-01 1.86786073e-01] [1.28994973e-02 6.86786073e-01 3.13213927e-01] [5.12899497e-01 3.13213927e-01 1.86786073e-01] [4.87100503e-01 1.86786073e-01 6.86786073e-01] [9.87100503e-01 8.13213927e-01 8.13213927e-01] [6.86786073e-01 1.86786073e-01 4.87100503e-01] [1.86786073e-01 3.13213927e-01 5.12899497e-01] [3.13213927e-01 6.86786073e-01 1.28994973e-02] [4.87100503e-01 6.86786073e-01 1.86786073e-01] [5.12899497e-01 1.86786073e-01 3.13213927e-01] [1.28994973e-02 3.13213927e-01 6.86786073e-01] [1.86786073e-01 4.87100503e-01 6.86786073e-01] [3.13213927e-01 5.12899497e-01 1.86786073e-01] [6.86786073e-01 1.28994973e-02 3.13213927e-01] [6.32139266e-02 5.63213927e-01 7.62899497e-01] [5.63213927e-01 9.36786073e-01 2.37100503e-01] [9.36786073e-01 6.32139266e-02 7.37100503e-01] [6.32139266e-02 7.37100503e-01 9.36786073e-01] [9.36786073e-01 2.37100503e-01 5.63213927e-01] [5.63213927e-01 7.62899497e-01 6.32139266e-02] [2.37100503e-01 5.63213927e-01 9.36786073e-01] [7.37100503e-01 9.36786073e-01 6.32139266e-02] [7.62899497e-01 6.32139266e-02 5.63213927e-01] [4.36786073e-01 9.36786073e-01 7.62899497e-01] [5.63213927e-01 5.63213927e-01 2.62899497e-01] [6.32139266e-02 4.36786073e-01 2.37100503e-01] [2.62899497e-01 9.36786073e-01 9.36786073e-01] [7.37100503e-01 5.63213927e-01 4.36786073e-01] [2.37100503e-01 4.36786073e-01 6.32139266e-02] [4.36786073e-01 7.62899497e-01 9.36786073e-01] [6.32139266e-02 2.62899497e-01 6.32139266e-02] [5.63213927e-01 7.37100503e-01 4.36786073e-01] [1.86786073e-01 1.86786073e-01 9.87100503e-01] [8.13213927e-01 3.13213927e-01 4.87100503e-01] [6.86786073e-01 8.13213927e-01 5.12899497e-01] [1.86786073e-01 1.28994973e-02 8.13213927e-01] [8.13213927e-01 4.87100503e-01 3.13213927e-01] [6.86786073e-01 9.87100503e-01 6.86786073e-01] [1.28994973e-02 1.86786073e-01 8.13213927e-01] [5.12899497e-01 8.13213927e-01 6.86786073e-01] [9.87100503e-01 3.13213927e-01 3.13213927e-01] [6.86786073e-01 6.86786073e-01 9.87100503e-01] [1.86786073e-01 8.13213927e-01 1.28994973e-02] [5.12899497e-01 6.86786073e-01 8.13213927e-01] [1.28994973e-02 8.13213927e-01 1.86786073e-01] [1.86786073e-01 9.87100503e-01 1.86786073e-01] [6.86786073e-01 5.12899497e-01 8.13213927e-01] [6.32139266e-02 6.32139266e-02 2.62899497e-01] [5.63213927e-01 4.36786073e-01 7.37100503e-01] [6.32139266e-02 2.37100503e-01 4.36786073e-01] [5.63213927e-01 2.62899497e-01 5.63213927e-01] [2.37100503e-01 6.32139266e-02 4.36786073e-01] [7.37100503e-01 4.36786073e-01 5.63213927e-01] [9.36786073e-01 4.36786073e-01 7.62899497e-01] [4.36786073e-01 5.63213927e-01 7.37100503e-01] [7.62899497e-01 4.36786073e-01 9.36786073e-01] [2.62899497e-01 5.63213927e-01 5.63213927e-01] [9.36786073e-01 2.62899497e-01 9.36786073e-01] [4.36786073e-01 7.37100503e-01 5.63213927e-01] [3.13213927e-01 8.13213927e-01 4.87100503e-01] [8.13213927e-01 1.86786073e-01 1.28994973e-02] [8.13213927e-01 1.28994973e-02 1.86786073e-01] [3.13213927e-01 9.87100503e-01 3.13213927e-01] [9.87100503e-01 1.86786073e-01 1.86786073e-01] [4.87100503e-01 8.13213927e-01 3.13213927e-01] [8.13213927e-01 6.86786073e-01 5.12899497e-01] [9.87100503e-01 6.86786073e-01 6.86786073e-01] [8.13213927e-01 5.12899497e-01 6.86786073e-01] [4.36786073e-01 6.32139266e-02 2.37100503e-01] [4.36786073e-01 2.37100503e-01 6.32139266e-02] [2.62899497e-01 6.32139266e-02 6.32139266e-02] [9.36786073e-01 9.36786073e-01 2.62899497e-01] [7.62899497e-01 9.36786073e-01 4.36786073e-01] [9.36786073e-01 7.62899497e-01 4.36786073e-01] [3.13213927e-01 3.13213927e-01 9.87100503e-01] [3.13213927e-01 4.87100503e-01 8.13213927e-01] [4.87100503e-01 3.13213927e-01 8.13213927e-01]] cellpar = Cell([[15.237335120776203, 1.0659324873982537e-31, 1.0935893796399733e-32], [-2.2392806363202764e-31, 15.237335120776203, -1.5750370561849295e-17], [-1.9611190618247927e-32, -1.57503705618494e-17, 15.237335120776203]]) forces = [[ 5.00839082e-31 1.87814656e-31 -2.19117099e-31] [-2.50419541e-31 4.38234197e-31 5.63443968e-31] [-3.13024426e-31 1.25209771e-31 1.25209771e-31] [-6.44029513e-63 4.38234197e-31 -4.52989380e-49] [-5.63443968e-31 -1.25209771e-31 6.26048853e-32] [ 6.26048853e-32 1.87814656e-31 1.87814656e-31] [-2.81721984e-31 6.26048853e-32 5.00839082e-31] [-5.00839082e-31 -1.94138306e-49 1.87814656e-31] [-1.30216073e-09 -1.30216073e-09 -1.30216073e-09] [ 1.30216073e-09 1.30216073e-09 -1.30216073e-09] [ 1.30216073e-09 -1.30216073e-09 1.30216073e-09] [-1.30216073e-09 1.30216073e-09 1.30216073e-09] [-1.30216073e-09 -1.30216073e-09 1.30216073e-09] [ 1.30216073e-09 1.30216073e-09 1.30216073e-09] [-1.30216073e-09 1.30216073e-09 -1.30216073e-09] [ 1.30216073e-09 -1.30216073e-09 -1.30216073e-09] [-1.30216073e-09 -1.30216073e-09 1.30216073e-09] [-1.30216073e-09 1.30216073e-09 -1.30216073e-09] [ 1.30216073e-09 -1.30216073e-09 -1.30216073e-09] [ 1.30216073e-09 1.30216073e-09 -1.30216073e-09] [ 1.30216073e-09 -1.30216073e-09 1.30216073e-09] [-1.30216073e-09 1.30216073e-09 1.30216073e-09] [-1.30216073e-09 -1.30216073e-09 -1.30216073e-09] [ 1.30216073e-09 1.30216073e-09 -1.30216073e-09] [ 1.30216073e-09 -1.30216073e-09 1.30216073e-09] [-1.30216073e-09 -1.30216073e-09 1.30216073e-09] [ 1.30216073e-09 1.30216073e-09 1.30216073e-09] [-1.30216073e-09 1.30216073e-09 -1.30216073e-09] [-1.30216073e-09 -1.30216073e-09 1.30216073e-09] [-1.30216073e-09 1.30216073e-09 -1.30216073e-09] [ 1.30216073e-09 1.30216073e-09 -1.30216073e-09] [ 1.30216073e-09 -1.30216073e-09 1.30216073e-09] [-1.30216073e-09 -1.30216073e-09 -1.30216073e-09] [-1.30216073e-09 1.30216073e-09 1.30216073e-09] [ 1.30216073e-09 1.30216073e-09 1.30216073e-09] [ 1.30216073e-09 -1.30216073e-09 -1.30216073e-09] [ 1.30216073e-09 -1.30216073e-09 -1.30216073e-09] [-1.30216073e-09 1.30216073e-09 1.30216073e-09] [-1.30216073e-09 -1.30216073e-09 -1.30216073e-09] [ 1.30216073e-09 1.30216073e-09 1.30216073e-09] [-5.59199029e-11 -5.59199029e-11 -1.06631557e-09] [ 5.59199029e-11 5.59199029e-11 -1.06631557e-09] [ 5.59199029e-11 -5.59199029e-11 1.06631557e-09] [-5.59199029e-11 5.59199029e-11 1.06631557e-09] [-1.06631557e-09 -5.59199029e-11 -5.59199029e-11] [-1.06631557e-09 5.59199029e-11 5.59199029e-11] [ 1.06631557e-09 5.59199029e-11 -5.59199029e-11] [ 1.06631557e-09 -5.59199029e-11 5.59199029e-11] [-5.59199029e-11 -1.06631557e-09 -5.59199029e-11] [ 5.59199029e-11 -1.06631557e-09 5.59199029e-11] [-5.59199029e-11 1.06631557e-09 5.59199029e-11] [ 5.59199029e-11 1.06631557e-09 -5.59199029e-11] [-5.59199029e-11 -5.59199029e-11 1.06631557e-09] [ 5.59199029e-11 5.59199029e-11 1.06631557e-09] [-5.59199029e-11 5.59199029e-11 -1.06631557e-09] [ 5.59199029e-11 -5.59199029e-11 -1.06631557e-09] [-5.59199029e-11 -1.06631557e-09 5.59199029e-11] [ 5.59199029e-11 -1.06631557e-09 -5.59199029e-11] [ 5.59199029e-11 1.06631557e-09 5.59199029e-11] [-5.59199029e-11 1.06631557e-09 -5.59199029e-11] [-1.06631557e-09 -5.59199029e-11 5.59199029e-11] [-1.06631557e-09 5.59199029e-11 -5.59199029e-11] [ 1.06631557e-09 -5.59199029e-11 -5.59199029e-11] [ 1.06631557e-09 5.59199029e-11 5.59199029e-11] [-5.59199029e-11 -5.59199029e-11 1.06631557e-09] [-5.59199029e-11 5.59199029e-11 -1.06631557e-09] [ 5.59199029e-11 -5.59199029e-11 -1.06631557e-09] [ 1.06631557e-09 -5.59199029e-11 -5.59199029e-11] [-1.06631557e-09 -5.59199029e-11 5.59199029e-11] [-1.06631557e-09 5.59199029e-11 -5.59199029e-11] [-5.59199029e-11 1.06631557e-09 -5.59199029e-11] [ 5.59199029e-11 -1.06631557e-09 -5.59199029e-11] [-5.59199029e-11 -1.06631557e-09 5.59199029e-11] [ 5.59199029e-11 5.59199029e-11 -1.06631557e-09] [ 5.59199029e-11 -5.59199029e-11 1.06631557e-09] [-5.59199029e-11 5.59199029e-11 1.06631557e-09] [ 5.59199029e-11 1.06631557e-09 -5.59199029e-11] [-5.59199029e-11 1.06631557e-09 5.59199029e-11] [ 5.59199029e-11 -1.06631557e-09 5.59199029e-11] [ 1.06631557e-09 5.59199029e-11 -5.59199029e-11] [ 1.06631557e-09 -5.59199029e-11 5.59199029e-11] [-1.06631557e-09 5.59199029e-11 5.59199029e-11] [-5.59199029e-11 -5.59199029e-11 -1.06631557e-09] [ 5.59199029e-11 5.59199029e-11 -1.06631557e-09] [ 5.59199029e-11 -5.59199029e-11 1.06631557e-09] [-1.06631557e-09 -5.59199029e-11 -5.59199029e-11] [ 1.06631557e-09 5.59199029e-11 -5.59199029e-11] [ 1.06631557e-09 -5.59199029e-11 5.59199029e-11] [-5.59199029e-11 -1.06631557e-09 -5.59199029e-11] [ 5.59199029e-11 -1.06631557e-09 5.59199029e-11] [ 5.59199029e-11 1.06631557e-09 -5.59199029e-11] [-5.59199029e-11 -5.59199029e-11 1.06631557e-09] [ 5.59199029e-11 5.59199029e-11 1.06631557e-09] [-5.59199029e-11 5.59199029e-11 -1.06631557e-09] [-5.59199029e-11 -1.06631557e-09 5.59199029e-11] [ 5.59199029e-11 1.06631557e-09 5.59199029e-11] [-5.59199029e-11 1.06631557e-09 -5.59199029e-11] [-1.06631557e-09 -5.59199029e-11 5.59199029e-11] [-1.06631557e-09 5.59199029e-11 -5.59199029e-11] [ 1.06631557e-09 5.59199029e-11 5.59199029e-11] [-5.59199029e-11 -5.59199029e-11 1.06631557e-09] [-5.59199029e-11 5.59199029e-11 -1.06631557e-09] [-1.06631557e-09 -5.59199029e-11 5.59199029e-11] [-1.06631557e-09 5.59199029e-11 -5.59199029e-11] [-5.59199029e-11 1.06631557e-09 -5.59199029e-11] [-5.59199029e-11 -1.06631557e-09 5.59199029e-11] [ 5.59199029e-11 5.59199029e-11 -1.06631557e-09] [ 5.59199029e-11 -5.59199029e-11 1.06631557e-09] [ 5.59199029e-11 1.06631557e-09 -5.59199029e-11] [ 5.59199029e-11 -1.06631557e-09 5.59199029e-11] [ 1.06631557e-09 5.59199029e-11 -5.59199029e-11] [ 1.06631557e-09 -5.59199029e-11 5.59199029e-11] [-5.59199029e-11 -5.59199029e-11 -1.06631557e-09] [-5.59199029e-11 5.59199029e-11 1.06631557e-09] [-1.06631557e-09 -5.59199029e-11 -5.59199029e-11] [-1.06631557e-09 5.59199029e-11 5.59199029e-11] [-5.59199029e-11 -1.06631557e-09 -5.59199029e-11] [-5.59199029e-11 1.06631557e-09 5.59199029e-11] [ 5.59199029e-11 5.59199029e-11 1.06631557e-09] [ 5.59199029e-11 -5.59199029e-11 -1.06631557e-09] [ 5.59199029e-11 -1.06631557e-09 -5.59199029e-11] [ 5.59199029e-11 1.06631557e-09 5.59199029e-11] [ 1.06631557e-09 -5.59199029e-11 -5.59199029e-11] [ 1.06631557e-09 5.59199029e-11 5.59199029e-11] [ 5.59199029e-11 -5.59199029e-11 -1.06631557e-09] [ 1.06631557e-09 -5.59199029e-11 -5.59199029e-11] [ 5.59199029e-11 -1.06631557e-09 -5.59199029e-11] [-5.59199029e-11 5.59199029e-11 1.06631557e-09] [-5.59199029e-11 1.06631557e-09 5.59199029e-11] [-1.06631557e-09 5.59199029e-11 5.59199029e-11] [-5.59199029e-11 -5.59199029e-11 -1.06631557e-09] [-1.06631557e-09 -5.59199029e-11 -5.59199029e-11] [-5.59199029e-11 -1.06631557e-09 -5.59199029e-11] [ 5.59199029e-11 5.59199029e-11 1.06631557e-09] [ 5.59199029e-11 1.06631557e-09 5.59199029e-11] [ 1.06631557e-09 5.59199029e-11 5.59199029e-11]] stress = [ 3.01191787e-11 3.01191787e-11 3.01191787e-11 -4.62406388e-29 -5.66279897e-34 -2.60367805e-52] energy per atom = -4.839836520242075 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0