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: SW_ZhangXieHu_2014OptimizedSW2_Si__MO_475612090600_005 ==== 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 15:03:15 -406.090951 1.282479 BFGS: 1 15:03:16 -407.151846 1.299723 BFGS: 2 15:03:17 -409.777476 1.297591 BFGS: 3 15:03:18 -412.132606 1.231869 BFGS: 4 15:03:18 -414.219074 1.121000 BFGS: 5 15:03:19 -416.000410 1.095913 BFGS: 6 15:03:19 -417.421545 1.067281 BFGS: 7 15:03:20 -418.361918 1.038299 BFGS: 8 15:03:21 -418.878343 1.011335 BFGS: 9 15:03:21 -419.111954 0.989710 BFGS: 10 15:03:22 -419.259264 0.977926 BFGS: 11 15:03:22 -419.424448 0.971314 BFGS: 12 15:03:23 -419.592220 0.967678 BFGS: 13 15:03:23 -419.749092 0.965049 BFGS: 14 15:03:24 -419.889110 0.962249 BFGS: 15 15:03:24 -420.014513 0.958792 BFGS: 16 15:03:25 -420.130291 0.954603 BFGS: 17 15:03:25 -420.240753 0.949763 BFGS: 18 15:03:26 -420.348763 0.944389 BFGS: 19 15:03:26 -420.456019 0.938583 BFGS: 20 15:03:27 -420.563459 0.932425 BFGS: 21 15:03:27 -420.671571 0.925976 BFGS: 22 15:03:28 -420.780584 0.919281 BFGS: 23 15:03:28 -420.890580 0.912374 BFGS: 24 15:03:29 -421.001557 0.905280 BFGS: 25 15:03:29 -421.113470 0.898020 BFGS: 26 15:03:29 -421.226245 0.890607 BFGS: 27 15:03:30 -421.339798 0.883052 BFGS: 28 15:03:30 -421.454036 0.875365 BFGS: 29 15:03:30 -421.568866 0.867552 BFGS: 30 15:03:31 -421.684191 0.859617 BFGS: 31 15:03:31 -421.799918 0.851564 BFGS: 32 15:03:32 -421.915953 0.843396 BFGS: 33 15:03:32 -422.032203 0.835114 BFGS: 34 15:03:33 -422.148578 0.826719 BFGS: 35 15:03:33 -422.264989 0.818211 BFGS: 36 15:03:34 -422.381347 0.809591 BFGS: 37 15:03:34 -422.497567 0.800857 BFGS: 38 15:03:34 -422.613563 0.792008 BFGS: 39 15:03:35 -422.729250 0.783043 BFGS: 40 15:03:35 -422.844548 0.773961 BFGS: 41 15:03:36 -422.959375 0.764760 BFGS: 42 15:03:36 -423.073651 0.755438 BFGS: 43 15:03:37 -423.187300 0.745993 BFGS: 44 15:03:37 -423.300243 0.736421 BFGS: 45 15:03:38 -423.412406 0.726722 BFGS: 46 15:03:38 -423.523716 0.716893 BFGS: 47 15:03:39 -423.634101 0.706930 BFGS: 48 15:03:39 -423.743491 0.696832 BFGS: 49 15:03:40 -423.851818 0.686595 BFGS: 50 15:03:40 -423.959014 0.676218 BFGS: 51 15:03:41 -424.065014 0.665697 BFGS: 52 15:03:41 -424.169755 0.655030 BFGS: 53 15:03:41 -424.273175 0.644214 BFGS: 54 15:03:42 -424.375212 0.633246 BFGS: 55 15:03:42 -424.475810 0.622124 BFGS: 56 15:03:42 -424.574909 0.610846 BFGS: 57 15:03:43 -424.672454 0.599408 BFGS: 58 15:03:44 -424.768390 0.587809 BFGS: 59 15:03:44 -424.862664 0.576045 BFGS: 60 15:03:45 -424.955225 0.564115 BFGS: 61 15:03:45 -425.046021 0.552016 BFGS: 62 15:03:46 -425.135003 0.539746 BFGS: 63 15:03:46 -425.222123 0.527303 BFGS: 64 15:03:47 -425.307333 0.514684 BFGS: 65 15:03:47 -425.390587 0.501889 BFGS: 66 15:03:48 -425.471841 0.488914 BFGS: 67 15:03:49 -425.551048 0.475758 BFGS: 68 15:03:49 -425.628167 0.462419 BFGS: 69 15:03:50 -425.703154 0.448895 BFGS: 70 15:03:50 -425.775968 0.435186 BFGS: 71 15:03:50 -425.846567 0.421289 BFGS: 72 15:03:51 -425.914911 0.407202 BFGS: 73 15:03:52 -425.980960 0.392926 BFGS: 74 15:03:52 -426.044675 0.378458 BFGS: 75 15:03:52 -426.106018 0.363797 BFGS: 76 15:03:53 -426.164949 0.348942 BFGS: 77 15:03:53 -426.221433 0.333892 BFGS: 78 15:03:53 -426.275431 0.318647 BFGS: 79 15:03:54 -426.326907 0.303205 BFGS: 80 15:03:54 -426.375825 0.287566 BFGS: 81 15:03:54 -426.422148 0.271728 BFGS: 82 15:03:54 -426.465843 0.255692 BFGS: 83 15:03:54 -426.506872 0.239458 BFGS: 84 15:03:54 -426.545203 0.223023 BFGS: 85 15:03:54 -426.580800 0.206389 BFGS: 86 15:03:55 -426.613629 0.189555 BFGS: 87 15:03:55 -426.643656 0.172521 BFGS: 88 15:03:55 -426.670848 0.155288 BFGS: 89 15:03:56 -426.695172 0.137854 BFGS: 90 15:03:56 -426.716594 0.120221 BFGS: 91 15:03:56 -426.735081 0.102388 BFGS: 92 15:03:57 -426.750600 0.084358 BFGS: 93 15:03:57 -426.763120 0.066130 BFGS: 94 15:03:57 -426.772607 0.047707 BFGS: 95 15:03:58 -426.779029 0.029092 BFGS: 96 15:03:58 -426.782353 0.010290 BFGS: 97 15:03:58 -426.782853 0.002391 BFGS: 98 15:03:58 -426.782860 0.001961 BFGS: 99 15:03:59 -426.782873 0.000127 BFGS: 100 15:03:59 -426.782873 0.000098 BFGS: 101 15:03:59 -426.782873 0.000078 BFGS: 102 15:03:59 -426.782873 0.000078 BFGS: 103 15:03:59 -426.782873 0.000040 BFGS: 104 15:04:00 -426.782873 0.000011 BFGS: 105 15:04:00 -426.782873 0.000001 BFGS: 106 15:04:01 -426.782873 0.000000 BFGS: 107 15:04:01 -426.782873 0.000000 Minimization converged after 107 steps. Maximum force component: 2.804075606810445e-09 eV/Angstrom Maximum stress component: 1.0294855977610484e-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 = [[2.18895240e-33 0.00000000e+00 2.42659179e-33] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.70664892e-33] [5.00000000e-01 3.70959106e-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] [9.03539058e-01 9.03539058e-01 9.03539058e-01] [9.64609422e-02 5.96460942e-01 4.03539058e-01] [5.96460942e-01 4.03539058e-01 9.64609422e-02] [4.03539058e-01 9.64609422e-02 5.96460942e-01] [6.53539058e-01 1.53539058e-01 8.46460942e-01] [3.46460942e-01 3.46460942e-01 3.46460942e-01] [1.53539058e-01 8.46460942e-01 6.53539058e-01] [8.46460942e-01 6.53539058e-01 1.53539058e-01] [1.53539058e-01 6.53539058e-01 8.46460942e-01] [6.53539058e-01 8.46460942e-01 1.53539058e-01] [8.46460942e-01 1.53539058e-01 6.53539058e-01] [5.96460942e-01 9.64609422e-02 4.03539058e-01] [9.64609422e-02 4.03539058e-01 5.96460942e-01] [4.03539058e-01 5.96460942e-01 9.64609422e-02] [9.03539058e-01 4.03539058e-01 4.03539058e-01] [9.64609422e-02 9.64609422e-02 9.03539058e-01] [5.96460942e-01 9.03539058e-01 5.96460942e-01] [6.53539058e-01 6.53539058e-01 3.46460942e-01] [3.46460942e-01 8.46460942e-01 8.46460942e-01] [1.53539058e-01 3.46460942e-01 1.53539058e-01] [1.53539058e-01 1.53539058e-01 3.46460942e-01] [6.53539058e-01 3.46460942e-01 6.53539058e-01] [5.96460942e-01 5.96460942e-01 9.03539058e-01] [9.64609422e-02 9.03539058e-01 9.64609422e-02] [4.03539058e-01 9.03539058e-01 4.03539058e-01] [9.03539058e-01 9.64609422e-02 9.64609422e-02] [8.46460942e-01 3.46460942e-01 8.46460942e-01] [3.46460942e-01 6.53539058e-01 6.53539058e-01] [3.46460942e-01 1.53539058e-01 1.53539058e-01] [9.03539058e-01 5.96460942e-01 5.96460942e-01] [4.03539058e-01 4.03539058e-01 9.03539058e-01] [8.46460942e-01 8.46460942e-01 3.46460942e-01] [4.38438582e-01 4.38438582e-01 2.56688192e-01] [5.61561418e-01 6.15614182e-02 7.56688192e-01] [6.15614182e-02 9.38438582e-01 7.43311808e-01] [9.38438582e-01 5.61561418e-01 2.43311808e-01] [2.56688192e-01 4.38438582e-01 4.38438582e-01] [7.56688192e-01 5.61561418e-01 6.15614182e-02] [7.43311808e-01 6.15614182e-02 9.38438582e-01] [2.43311808e-01 9.38438582e-01 5.61561418e-01] [4.38438582e-01 2.56688192e-01 4.38438582e-01] [6.15614182e-02 7.56688192e-01 5.61561418e-01] [9.38438582e-01 7.43311808e-01 6.15614182e-02] [5.61561418e-01 2.43311808e-01 9.38438582e-01] [1.88438582e-01 6.88438582e-01 4.93311808e-01] [8.11561418e-01 8.11561418e-01 9.93311808e-01] [6.88438582e-01 3.11561418e-01 6.68819238e-03] [3.11561418e-01 1.88438582e-01 5.06688192e-01] [1.88438582e-01 5.06688192e-01 3.11561418e-01] [3.11561418e-01 6.68819238e-03 6.88438582e-01] [8.11561418e-01 9.93311808e-01 8.11561418e-01] [6.88438582e-01 4.93311808e-01 1.88438582e-01] [6.68819238e-03 6.88438582e-01 3.11561418e-01] [5.06688192e-01 3.11561418e-01 1.88438582e-01] [4.93311808e-01 1.88438582e-01 6.88438582e-01] [9.93311808e-01 8.11561418e-01 8.11561418e-01] [6.88438582e-01 1.88438582e-01 4.93311808e-01] [1.88438582e-01 3.11561418e-01 5.06688192e-01] [3.11561418e-01 6.88438582e-01 6.68819238e-03] [4.93311808e-01 6.88438582e-01 1.88438582e-01] [5.06688192e-01 1.88438582e-01 3.11561418e-01] [6.68819238e-03 3.11561418e-01 6.88438582e-01] [1.88438582e-01 4.93311808e-01 6.88438582e-01] [3.11561418e-01 5.06688192e-01 1.88438582e-01] [6.88438582e-01 6.68819238e-03 3.11561418e-01] [6.15614182e-02 5.61561418e-01 7.56688192e-01] [5.61561418e-01 9.38438582e-01 2.43311808e-01] [9.38438582e-01 6.15614182e-02 7.43311808e-01] [6.15614182e-02 7.43311808e-01 9.38438582e-01] [9.38438582e-01 2.43311808e-01 5.61561418e-01] [5.61561418e-01 7.56688192e-01 6.15614182e-02] [2.43311808e-01 5.61561418e-01 9.38438582e-01] [7.43311808e-01 9.38438582e-01 6.15614182e-02] [7.56688192e-01 6.15614182e-02 5.61561418e-01] [4.38438582e-01 9.38438582e-01 7.56688192e-01] [5.61561418e-01 5.61561418e-01 2.56688192e-01] [6.15614182e-02 4.38438582e-01 2.43311808e-01] [2.56688192e-01 9.38438582e-01 9.38438582e-01] [7.43311808e-01 5.61561418e-01 4.38438582e-01] [2.43311808e-01 4.38438582e-01 6.15614182e-02] [4.38438582e-01 7.56688192e-01 9.38438582e-01] [6.15614182e-02 2.56688192e-01 6.15614182e-02] [5.61561418e-01 7.43311808e-01 4.38438582e-01] [1.88438582e-01 1.88438582e-01 9.93311808e-01] [8.11561418e-01 3.11561418e-01 4.93311808e-01] [6.88438582e-01 8.11561418e-01 5.06688192e-01] [1.88438582e-01 6.68819238e-03 8.11561418e-01] [8.11561418e-01 4.93311808e-01 3.11561418e-01] [6.88438582e-01 9.93311808e-01 6.88438582e-01] [6.68819238e-03 1.88438582e-01 8.11561418e-01] [5.06688192e-01 8.11561418e-01 6.88438582e-01] [9.93311808e-01 3.11561418e-01 3.11561418e-01] [6.88438582e-01 6.88438582e-01 9.93311808e-01] [1.88438582e-01 8.11561418e-01 6.68819238e-03] [5.06688192e-01 6.88438582e-01 8.11561418e-01] [6.68819238e-03 8.11561418e-01 1.88438582e-01] [1.88438582e-01 9.93311808e-01 1.88438582e-01] [6.88438582e-01 5.06688192e-01 8.11561418e-01] [6.15614182e-02 6.15614182e-02 2.56688192e-01] [5.61561418e-01 4.38438582e-01 7.43311808e-01] [6.15614182e-02 2.43311808e-01 4.38438582e-01] [5.61561418e-01 2.56688192e-01 5.61561418e-01] [2.43311808e-01 6.15614182e-02 4.38438582e-01] [7.43311808e-01 4.38438582e-01 5.61561418e-01] [9.38438582e-01 4.38438582e-01 7.56688192e-01] [4.38438582e-01 5.61561418e-01 7.43311808e-01] [7.56688192e-01 4.38438582e-01 9.38438582e-01] [2.56688192e-01 5.61561418e-01 5.61561418e-01] [9.38438582e-01 2.56688192e-01 9.38438582e-01] [4.38438582e-01 7.43311808e-01 5.61561418e-01] [3.11561418e-01 8.11561418e-01 4.93311808e-01] [8.11561418e-01 1.88438582e-01 6.68819238e-03] [8.11561418e-01 6.68819238e-03 1.88438582e-01] [3.11561418e-01 9.93311808e-01 3.11561418e-01] [9.93311808e-01 1.88438582e-01 1.88438582e-01] [4.93311808e-01 8.11561418e-01 3.11561418e-01] [8.11561418e-01 6.88438582e-01 5.06688192e-01] [9.93311808e-01 6.88438582e-01 6.88438582e-01] [8.11561418e-01 5.06688192e-01 6.88438582e-01] [4.38438582e-01 6.15614182e-02 2.43311808e-01] [4.38438582e-01 2.43311808e-01 6.15614182e-02] [2.56688192e-01 6.15614182e-02 6.15614182e-02] [9.38438582e-01 9.38438582e-01 2.56688192e-01] [7.56688192e-01 9.38438582e-01 4.38438582e-01] [9.38438582e-01 7.56688192e-01 4.38438582e-01] [3.11561418e-01 3.11561418e-01 9.93311808e-01] [3.11561418e-01 4.93311808e-01 8.11561418e-01] [4.93311808e-01 3.11561418e-01 8.11561418e-01]] cellpar = Cell([[14.218927487203686, 4.5816731336331774e-32, 4.7058345956202234e-32], [1.062097527960852e-32, 14.218927487203686, -3.5739296021042305e-19], [-4.3838807840546775e-32, -3.573929602103799e-19, 14.218927487203686]]) forces = [[ 2.92103021e-32 1.16841208e-31 -2.92103021e-31] [ 4.38154532e-31 6.71836948e-31 3.79733927e-31] [-3.06708172e-31 -6.71836948e-31 -3.79733927e-31] [ 3.39569762e-31 -5.54995740e-31 3.21313323e-31] [-6.13416344e-31 1.02236057e-30 -3.65128776e-31] [-1.60656662e-31 -5.84206042e-31 -3.94339078e-31] [-2.92103021e-31 6.13416344e-31 -3.21313323e-31] [ 7.30257553e-32 1.16841208e-31 -3.79733927e-31] [-2.80407561e-09 -2.80407561e-09 -2.80407561e-09] [ 2.80407561e-09 2.80407561e-09 -2.80407561e-09] [ 2.80407561e-09 -2.80407561e-09 2.80407561e-09] [-2.80407561e-09 2.80407561e-09 2.80407561e-09] [-2.80407561e-09 -2.80407561e-09 2.80407561e-09] [ 2.80407561e-09 2.80407561e-09 2.80407561e-09] [-2.80407561e-09 2.80407561e-09 -2.80407561e-09] [ 2.80407561e-09 -2.80407561e-09 -2.80407561e-09] [-2.80407561e-09 -2.80407561e-09 2.80407561e-09] [-2.80407561e-09 2.80407561e-09 -2.80407561e-09] [ 2.80407561e-09 -2.80407561e-09 -2.80407561e-09] [ 2.80407561e-09 2.80407561e-09 -2.80407561e-09] [ 2.80407561e-09 -2.80407561e-09 2.80407561e-09] [-2.80407561e-09 2.80407561e-09 2.80407561e-09] [-2.80407561e-09 -2.80407561e-09 -2.80407561e-09] [ 2.80407561e-09 2.80407561e-09 -2.80407561e-09] [ 2.80407561e-09 -2.80407561e-09 2.80407561e-09] [-2.80407561e-09 -2.80407561e-09 2.80407561e-09] [ 2.80407561e-09 2.80407561e-09 2.80407561e-09] [-2.80407561e-09 2.80407561e-09 -2.80407561e-09] [-2.80407561e-09 -2.80407561e-09 2.80407561e-09] [-2.80407561e-09 2.80407561e-09 -2.80407561e-09] [ 2.80407561e-09 2.80407561e-09 -2.80407561e-09] [ 2.80407561e-09 -2.80407561e-09 2.80407561e-09] [-2.80407561e-09 -2.80407561e-09 -2.80407561e-09] [-2.80407561e-09 2.80407561e-09 2.80407561e-09] [ 2.80407561e-09 2.80407561e-09 2.80407561e-09] [ 2.80407561e-09 -2.80407561e-09 -2.80407561e-09] [ 2.80407561e-09 -2.80407561e-09 -2.80407561e-09] [-2.80407561e-09 2.80407561e-09 2.80407561e-09] [-2.80407561e-09 -2.80407561e-09 -2.80407561e-09] [ 2.80407561e-09 2.80407561e-09 2.80407561e-09] [ 1.20078948e-10 1.20078948e-10 1.06666720e-09] [-1.20078948e-10 -1.20078948e-10 1.06666720e-09] [-1.20078948e-10 1.20078948e-10 -1.06666720e-09] [ 1.20078948e-10 -1.20078948e-10 -1.06666720e-09] [ 1.06666720e-09 1.20078948e-10 1.20078948e-10] [ 1.06666720e-09 -1.20078948e-10 -1.20078948e-10] [-1.06666720e-09 -1.20078948e-10 1.20078948e-10] [-1.06666720e-09 1.20078948e-10 -1.20078948e-10] [ 1.20078948e-10 1.06666720e-09 1.20078948e-10] [-1.20078948e-10 1.06666720e-09 -1.20078948e-10] [ 1.20078948e-10 -1.06666720e-09 -1.20078948e-10] [-1.20078948e-10 -1.06666720e-09 1.20078948e-10] [ 1.20078948e-10 1.20078948e-10 -1.06666720e-09] [-1.20078948e-10 -1.20078948e-10 -1.06666720e-09] [ 1.20078948e-10 -1.20078948e-10 1.06666720e-09] [-1.20078948e-10 1.20078948e-10 1.06666720e-09] [ 1.20078948e-10 1.06666720e-09 -1.20078948e-10] [-1.20078948e-10 1.06666720e-09 1.20078948e-10] [-1.20078948e-10 -1.06666720e-09 -1.20078948e-10] [ 1.20078948e-10 -1.06666720e-09 1.20078948e-10] [ 1.06666720e-09 1.20078948e-10 -1.20078948e-10] [ 1.06666720e-09 -1.20078948e-10 1.20078948e-10] [-1.06666720e-09 1.20078948e-10 1.20078948e-10] [-1.06666720e-09 -1.20078948e-10 -1.20078948e-10] [ 1.20078948e-10 1.20078948e-10 -1.06666720e-09] [ 1.20078948e-10 -1.20078948e-10 1.06666720e-09] [-1.20078948e-10 1.20078948e-10 1.06666720e-09] [-1.06666720e-09 1.20078948e-10 1.20078948e-10] [ 1.06666720e-09 1.20078948e-10 -1.20078948e-10] [ 1.06666720e-09 -1.20078948e-10 1.20078948e-10] [ 1.20078948e-10 -1.06666720e-09 1.20078948e-10] [-1.20078948e-10 1.06666720e-09 1.20078948e-10] [ 1.20078948e-10 1.06666720e-09 -1.20078948e-10] [-1.20078948e-10 -1.20078948e-10 1.06666720e-09] [-1.20078948e-10 1.20078948e-10 -1.06666720e-09] [ 1.20078948e-10 -1.20078948e-10 -1.06666720e-09] [-1.20078948e-10 -1.06666720e-09 1.20078948e-10] [ 1.20078948e-10 -1.06666720e-09 -1.20078948e-10] [-1.20078948e-10 1.06666720e-09 -1.20078948e-10] [-1.06666720e-09 -1.20078948e-10 1.20078948e-10] [-1.06666720e-09 1.20078948e-10 -1.20078948e-10] [ 1.06666720e-09 -1.20078948e-10 -1.20078948e-10] [ 1.20078948e-10 1.20078948e-10 1.06666720e-09] [-1.20078948e-10 -1.20078948e-10 1.06666720e-09] [-1.20078948e-10 1.20078948e-10 -1.06666720e-09] [ 1.06666720e-09 1.20078948e-10 1.20078948e-10] [-1.06666720e-09 -1.20078948e-10 1.20078948e-10] [-1.06666720e-09 1.20078948e-10 -1.20078948e-10] [ 1.20078948e-10 1.06666720e-09 1.20078948e-10] [-1.20078948e-10 1.06666720e-09 -1.20078948e-10] [-1.20078948e-10 -1.06666720e-09 1.20078948e-10] [ 1.20078948e-10 1.20078948e-10 -1.06666720e-09] [-1.20078948e-10 -1.20078948e-10 -1.06666720e-09] [ 1.20078948e-10 -1.20078948e-10 1.06666720e-09] [ 1.20078948e-10 1.06666720e-09 -1.20078948e-10] [-1.20078948e-10 -1.06666720e-09 -1.20078948e-10] [ 1.20078948e-10 -1.06666720e-09 1.20078948e-10] [ 1.06666720e-09 1.20078948e-10 -1.20078948e-10] [ 1.06666720e-09 -1.20078948e-10 1.20078948e-10] [-1.06666720e-09 -1.20078948e-10 -1.20078948e-10] [ 1.20078948e-10 1.20078948e-10 -1.06666720e-09] [ 1.20078948e-10 -1.20078948e-10 1.06666720e-09] [ 1.06666720e-09 1.20078948e-10 -1.20078948e-10] [ 1.06666720e-09 -1.20078948e-10 1.20078948e-10] [ 1.20078948e-10 -1.06666720e-09 1.20078948e-10] [ 1.20078948e-10 1.06666720e-09 -1.20078948e-10] [-1.20078948e-10 -1.20078948e-10 1.06666720e-09] [-1.20078948e-10 1.20078948e-10 -1.06666720e-09] [-1.20078948e-10 -1.06666720e-09 1.20078948e-10] [-1.20078948e-10 1.06666720e-09 -1.20078948e-10] [-1.06666720e-09 -1.20078948e-10 1.20078948e-10] [-1.06666720e-09 1.20078948e-10 -1.20078948e-10] [ 1.20078948e-10 1.20078948e-10 1.06666720e-09] [ 1.20078948e-10 -1.20078948e-10 -1.06666720e-09] [ 1.06666720e-09 1.20078948e-10 1.20078948e-10] [ 1.06666720e-09 -1.20078948e-10 -1.20078948e-10] [ 1.20078948e-10 1.06666720e-09 1.20078948e-10] [ 1.20078948e-10 -1.06666720e-09 -1.20078948e-10] [-1.20078948e-10 -1.20078948e-10 -1.06666720e-09] [-1.20078948e-10 1.20078948e-10 1.06666720e-09] [-1.20078948e-10 1.06666720e-09 1.20078948e-10] [-1.20078948e-10 -1.06666720e-09 -1.20078948e-10] [-1.06666720e-09 1.20078948e-10 1.20078948e-10] [-1.06666720e-09 -1.20078948e-10 -1.20078948e-10] [-1.20078948e-10 1.20078948e-10 1.06666720e-09] [-1.06666720e-09 1.20078948e-10 1.20078948e-10] [-1.20078948e-10 1.06666720e-09 1.20078948e-10] [ 1.20078948e-10 -1.20078948e-10 -1.06666720e-09] [ 1.20078948e-10 -1.06666720e-09 -1.20078948e-10] [ 1.06666720e-09 -1.20078948e-10 -1.20078948e-10] [ 1.20078948e-10 1.20078948e-10 1.06666720e-09] [ 1.06666720e-09 1.20078948e-10 1.20078948e-10] [ 1.20078948e-10 1.06666720e-09 1.20078948e-10] [-1.20078948e-10 -1.20078948e-10 -1.06666720e-09] [-1.20078948e-10 -1.06666720e-09 -1.20078948e-10] [-1.06666720e-09 -1.20078948e-10 -1.20078948e-10]] stress = [ 1.02948560e-11 1.02948560e-11 1.02948560e-11 -8.80987001e-29 -3.25151310e-34 1.16070493e-51] energy per atom = -3.1381093579766297 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0