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 16:42:04 -604.614761 2.7166 BFGS: 1 16:42:05 -611.132912 2.7136 BFGS: 2 16:42:06 -617.770850 2.6720 BFGS: 3 16:42:07 -622.878220 2.5933 BFGS: 4 16:42:07 -626.854266 2.4848 BFGS: 5 16:42:08 -630.077255 2.3557 BFGS: 6 16:42:09 -632.805241 2.2365 BFGS: 7 16:42:10 -635.079674 2.1741 BFGS: 8 16:42:12 -636.975262 2.1501 BFGS: 9 16:42:13 -638.689753 2.1249 BFGS: 10 16:42:14 -640.310534 2.0868 BFGS: 11 16:42:14 -641.833888 2.0374 BFGS: 12 16:42:15 -643.234799 1.9811 BFGS: 13 16:42:16 -644.494751 1.9215 BFGS: 14 16:42:17 -645.607542 1.8615 BFGS: 15 16:42:17 -646.577241 1.8031 BFGS: 16 16:42:18 -647.414540 1.7476 BFGS: 17 16:42:19 -648.133624 1.6961 BFGS: 18 16:42:20 -648.749969 1.6489 BFGS: 19 16:42:20 -649.278942 1.6064 BFGS: 20 16:42:21 -649.734956 1.5684 BFGS: 21 16:42:22 -650.131013 1.5346 BFGS: 22 16:42:23 -650.478478 1.5046 BFGS: 23 16:42:23 -650.787031 1.4777 BFGS: 24 16:42:24 -651.064719 1.4534 BFGS: 25 16:42:25 -651.318094 1.4310 BFGS: 26 16:42:26 -651.552393 1.4100 BFGS: 27 16:42:26 -651.771735 1.3899 BFGS: 28 16:42:27 -651.979318 1.3703 BFGS: 29 16:42:28 -652.177597 1.3509 BFGS: 30 16:42:29 -652.368444 1.3315 BFGS: 31 16:42:29 -652.553275 1.3119 BFGS: 32 16:42:30 -652.733155 1.2920 BFGS: 33 16:42:31 -652.908879 1.2718 BFGS: 34 16:42:32 -653.081037 1.2512 BFGS: 35 16:42:32 -653.250065 1.2302 BFGS: 36 16:42:33 -653.416274 1.2088 BFGS: 37 16:42:33 -653.579886 1.1870 BFGS: 38 16:42:34 -653.741051 1.1647 BFGS: 39 16:42:35 -653.899864 1.1421 BFGS: 40 16:42:36 -654.056377 1.1191 BFGS: 41 16:42:36 -654.210608 1.0958 BFGS: 42 16:42:37 -654.362550 1.0722 BFGS: 43 16:42:37 -654.512176 1.0483 BFGS: 44 16:42:38 -654.659443 1.0242 BFGS: 45 16:42:38 -654.804297 0.9999 BFGS: 46 16:42:39 -654.946675 0.9754 BFGS: 47 16:42:39 -655.086508 0.9507 BFGS: 48 16:42:40 -655.223725 0.9259 BFGS: 49 16:42:40 -655.358252 0.9010 BFGS: 50 16:42:41 -655.490015 0.8761 BFGS: 51 16:42:42 -655.618940 0.8511 BFGS: 52 16:42:42 -655.744959 0.8262 BFGS: 53 16:42:42 -655.868005 0.8013 BFGS: 54 16:42:43 -655.988016 0.7764 BFGS: 55 16:42:43 -656.104936 0.7517 BFGS: 56 16:42:44 -656.218715 0.7272 BFGS: 57 16:42:44 -656.329309 0.7028 BFGS: 58 16:42:45 -656.436683 0.6786 BFGS: 59 16:42:45 -656.540806 0.6547 BFGS: 60 16:42:45 -656.641658 0.6310 BFGS: 61 16:42:46 -656.739225 0.6076 BFGS: 62 16:42:46 -656.833501 0.5845 BFGS: 63 16:42:46 -656.924488 0.5617 BFGS: 64 16:42:47 -657.012191 0.5393 BFGS: 65 16:42:47 -657.096625 0.5172 BFGS: 66 16:42:47 -657.177808 0.4954 BFGS: 67 16:42:48 -657.255762 0.4740 BFGS: 68 16:42:48 -657.330514 0.4529 BFGS: 69 16:42:49 -657.402089 0.4322 BFGS: 70 16:42:49 -657.470517 0.4118 BFGS: 71 16:42:49 -657.535826 0.3917 BFGS: 72 16:42:50 -657.598041 0.3718 BFGS: 73 16:42:50 -657.657188 0.3523 BFGS: 74 16:42:50 -657.713290 0.3329 BFGS: 75 16:42:50 -657.766366 0.3138 BFGS: 76 16:42:51 -657.816434 0.2949 BFGS: 77 16:42:51 -657.863509 0.2761 BFGS: 78 16:42:52 -657.907605 0.2575 BFGS: 79 16:42:52 -657.948731 0.2390 BFGS: 80 16:42:53 -657.986898 0.2207 BFGS: 81 16:42:53 -658.022115 0.2024 BFGS: 82 16:42:54 -658.054389 0.1843 BFGS: 83 16:42:54 -658.083728 0.1662 BFGS: 84 16:42:55 -658.110139 0.1483 BFGS: 85 16:42:55 -658.133631 0.1304 BFGS: 86 16:42:55 -658.154209 0.1127 BFGS: 87 16:42:56 -658.171881 0.0950 BFGS: 88 16:42:56 -658.186657 0.0775 BFGS: 89 16:42:57 -658.198544 0.0600 BFGS: 90 16:42:57 -658.207554 0.0427 BFGS: 91 16:42:58 -658.213698 0.0255 BFGS: 92 16:42:58 -658.216996 0.0089 BFGS: 93 16:42:58 -658.217642 0.0065 BFGS: 94 16:42:59 -658.217667 0.0057 BFGS: 95 16:42:59 -658.217758 0.0013 BFGS: 96 16:42:59 -658.217760 0.0012 BFGS: 97 16:43:00 -658.217763 0.0008 BFGS: 98 16:43:00 -658.217765 0.0005 BFGS: 99 16:43:00 -658.217767 0.0002 BFGS: 100 16:43:01 -658.217767 0.0001 BFGS: 101 16:43:01 -658.217767 0.0000 BFGS: 102 16:43:01 -658.217767 0.0000 BFGS: 103 16:43:02 -658.217767 0.0000 BFGS: 104 16:43:02 -658.217767 0.0000 BFGS: 105 16:43:03 -658.217767 0.0000 BFGS: 106 16:43:03 -658.217767 0.0000 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