element(s): ['Si'] AFLOW prototype label: A_tP106_137_a5g4h Parameter names: ['a', 'c/a', 'y2', 'z2', 'y3', 'z3', 'y4', 'z4', 'y5', 'z5', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.1614', '2.3850257', '0.93992864', '0.19609985', '0.87847441', '0.10226691', '0.13030281', '0.77487209', '0.98453855', '0.85341975', '0.13332475', '0.92680675', '0.43292986', '0.065760748', '0.72131569', '0.45643579', '0.87171028', '0.86152967', '0.57092716', '0.9958931', '0.93303081', '0.43052092', '0.13256247', '0.98508065'] model name: MEAM_LAMMPS_LenoskySadighAlonso_2000_Si__MO_533426548156_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0. 0.18992864 0.94609985] [0. 0.12847441 0.85226691] [0. 0.38030281 0.52487209] [0. 0.23453855 0.60341975] [0. 0.38332475 0.67680675] [0.18292986 0.31576075 0.47131569] [0.20643579 0.12171028 0.61152967] [0.32092716 0.2458931 0.68303081] [0.18052092 0.38256247 0.73508065]] spacegroup = 137 cell = [[10.1614, 0, 0], [0, 10.1614, 0], [0, 0, 24.2352]] ========================================= Step Time Energy fmax BFGS: 0 17:36:10 -464.943576 0.843164 BFGS: 1 17:36:11 -465.086492 0.638533 BFGS: 2 17:36:11 -465.405274 0.269579 BFGS: 3 17:36:11 -465.460619 0.277676 BFGS: 4 17:36:12 -465.557477 0.244919 BFGS: 5 17:36:12 -465.610117 0.246615 BFGS: 6 17:36:12 -465.662234 0.250643 BFGS: 7 17:36:13 -465.693079 0.241444 BFGS: 8 17:36:13 -465.729860 0.243149 BFGS: 9 17:36:13 -465.757929 0.243277 BFGS: 10 17:36:14 -465.782100 0.240445 BFGS: 11 17:36:14 -465.803581 0.233887 BFGS: 12 17:36:14 -465.831083 0.220610 BFGS: 13 17:36:15 -465.857613 0.203244 BFGS: 14 17:36:15 -465.879777 0.193204 BFGS: 15 17:36:16 -465.900119 0.194292 BFGS: 16 17:36:16 -465.924448 0.184366 BFGS: 17 17:36:16 -465.948285 0.182436 BFGS: 18 17:36:17 -465.971621 0.180531 BFGS: 19 17:36:17 -465.993805 0.178021 BFGS: 20 17:36:17 -466.014533 0.174918 BFGS: 21 17:36:18 -466.033960 0.171453 BFGS: 22 17:36:18 -466.052470 0.167869 BFGS: 23 17:36:18 -466.070435 0.164350 BFGS: 24 17:36:19 -466.087951 0.160103 BFGS: 25 17:36:19 -466.105612 0.155248 BFGS: 26 17:36:19 -466.123802 0.150350 BFGS: 27 17:36:19 -466.141927 0.145377 BFGS: 28 17:36:20 -466.159784 0.140335 BFGS: 29 17:36:20 -466.177271 0.135230 BFGS: 30 17:36:20 -466.194310 0.130059 BFGS: 31 17:36:20 -466.210831 0.127718 BFGS: 32 17:36:21 -466.226762 0.126033 BFGS: 33 17:36:21 -466.242004 0.126258 BFGS: 34 17:36:22 -466.256893 0.135576 BFGS: 35 17:36:23 -466.276168 0.129137 BFGS: 36 17:36:24 -466.293943 0.114281 BFGS: 37 17:36:25 -466.309418 0.093942 BFGS: 38 17:36:26 -466.322359 0.078303 BFGS: 39 17:36:27 -466.332789 0.072789 BFGS: 40 17:36:28 -466.340697 0.061076 BFGS: 41 17:36:28 -466.346239 0.051890 BFGS: 42 17:36:28 -466.353083 0.049356 BFGS: 43 17:36:29 -466.356762 0.048807 BFGS: 44 17:36:30 -466.359200 0.040872 BFGS: 45 17:36:30 -466.361094 0.038539 BFGS: 46 17:36:31 -466.362985 0.033671 BFGS: 47 17:36:32 -466.364504 0.033117 BFGS: 48 17:36:33 -466.365607 0.033816 BFGS: 49 17:36:33 -466.366411 0.037542 BFGS: 50 17:36:34 -466.367046 0.039757 BFGS: 51 17:36:35 -466.367535 0.040288 BFGS: 52 17:36:36 -466.367895 0.039695 BFGS: 53 17:36:36 -466.368219 0.038811 BFGS: 54 17:36:36 -466.368573 0.038124 BFGS: 55 17:36:36 -466.368924 0.038049 BFGS: 56 17:36:37 -466.369253 0.038560 BFGS: 57 17:36:37 -466.369594 0.039351 BFGS: 58 17:36:37 -466.369993 0.040137 BFGS: 59 17:36:37 -466.370464 0.040631 BFGS: 60 17:36:38 -466.370985 0.040636 BFGS: 61 17:36:38 -466.371539 0.040263 BFGS: 62 17:36:39 -466.372181 0.039886 BFGS: 63 17:36:39 -466.373011 0.039950 BFGS: 64 17:36:40 -466.374111 0.040837 BFGS: 65 17:36:40 -466.375587 0.042612 BFGS: 66 17:36:41 -466.377485 0.044745 BFGS: 67 17:36:41 -466.379222 0.045865 BFGS: 68 17:36:42 -466.380827 0.045342 BFGS: 69 17:36:42 -466.382259 0.043539 BFGS: 70 17:36:42 -466.383487 0.041251 BFGS: 71 17:36:42 -466.384609 0.037992 BFGS: 72 17:36:43 -466.385829 0.040305 BFGS: 73 17:36:43 -466.387310 0.036776 BFGS: 74 17:36:43 -466.388993 0.038771 BFGS: 75 17:36:43 -466.390585 0.050351 BFGS: 76 17:36:43 -466.391913 0.044506 BFGS: 77 17:36:44 -466.392954 0.027226 BFGS: 78 17:36:44 -466.393504 0.017886 BFGS: 79 17:36:44 -466.393744 0.010988 BFGS: 80 17:36:44 -466.393893 0.013332 BFGS: 81 17:36:45 -466.394086 0.014494 BFGS: 82 17:36:45 -466.394360 0.014432 BFGS: 83 17:36:45 -466.394661 0.015960 BFGS: 84 17:36:45 -466.394901 0.012630 BFGS: 85 17:36:45 -466.395041 0.007877 BFGS: 86 17:36:46 -466.395095 0.003482 BFGS: 87 17:36:46 -466.395115 0.002146 BFGS: 88 17:36:46 -466.395121 0.001142 BFGS: 89 17:36:47 -466.395122 0.000868 BFGS: 90 17:36:47 -466.395123 0.000590 BFGS: 91 17:36:47 -466.395123 0.000424 BFGS: 92 17:36:47 -466.395124 0.000150 BFGS: 93 17:36:48 -466.395124 0.000052 BFGS: 94 17:36:48 -466.395124 0.000039 BFGS: 95 17:36:48 -466.395124 0.000029 BFGS: 96 17:36:48 -466.395124 0.000017 BFGS: 97 17:36:49 -466.395124 0.000007 BFGS: 98 17:36:49 -466.395124 0.000006 BFGS: 99 17:36:49 -466.395124 0.000004 BFGS: 100 17:36:49 -466.395124 0.000001 BFGS: 101 17:36:49 -466.395124 0.000000 BFGS: 102 17:36:50 -466.395124 0.000000 BFGS: 103 17:36:50 -466.395124 0.000000 BFGS: 104 17:36:50 -466.395124 0.000000 BFGS: 105 17:36:51 -466.395124 0.000000 BFGS: 106 17:36:51 -466.395124 0.000000 BFGS: 107 17:36:52 -466.395124 0.000000 BFGS: 108 17:36:52 -466.395124 0.000000 BFGS: 109 17:36:53 -466.395124 0.000000 BFGS: 110 17:36:54 -466.395124 0.000000 Minimization converged after 110 steps. Maximum force component: 8.543634333205498e-09 eV/Angstrom Maximum stress component: 9.804340911597576e-12 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'] basis = [[0.00000000e+00 1.81569950e-35 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [4.12488035e-33 1.88160801e-01 9.42958915e-01] [0.00000000e+00 8.11839199e-01 9.42958915e-01] [3.11839199e-01 5.00000000e-01 4.42958915e-01] [6.88160801e-01 5.00000000e-01 4.42958915e-01] [5.00000000e-01 6.88160801e-01 5.57041085e-01] [5.00000000e-01 3.11839199e-01 5.57041085e-01] [1.88160801e-01 0.00000000e+00 5.70410849e-02] [8.11839199e-01 1.70084116e-33 5.70410849e-02] [6.01891200e-34 1.26348564e-01 8.48557059e-01] [0.00000000e+00 8.73651436e-01 8.48557059e-01] [3.73651436e-01 5.00000000e-01 3.48557059e-01] [6.26348564e-01 5.00000000e-01 3.48557059e-01] [5.00000000e-01 6.26348564e-01 6.51442941e-01] [5.00000000e-01 3.73651436e-01 6.51442941e-01] [1.26348564e-01 0.00000000e+00 1.51442941e-01] [8.73651436e-01 4.17479193e-33 1.51442941e-01] [1.93749767e-33 3.79286138e-01 5.18871987e-01] [0.00000000e+00 6.20713862e-01 5.18871987e-01] [1.20713862e-01 5.00000000e-01 1.88719872e-02] [8.79286138e-01 5.00000000e-01 1.88719872e-02] [5.00000000e-01 8.79286138e-01 9.81128013e-01] [5.00000000e-01 1.20713862e-01 9.81128013e-01] [3.79286138e-01 1.23697539e-33 4.81128013e-01] [6.20713862e-01 0.00000000e+00 4.81128013e-01] [1.23237210e-32 2.33095519e-01 5.95713175e-01] [4.97030664e-33 7.66904481e-01 5.95713175e-01] [2.66904481e-01 5.00000000e-01 9.57131749e-02] [7.33095519e-01 5.00000000e-01 9.57131749e-02] [5.00000000e-01 7.33095519e-01 9.04286825e-01] [5.00000000e-01 2.66904481e-01 9.04286825e-01] [2.33095519e-01 0.00000000e+00 4.04286825e-01] [7.66904481e-01 1.23697539e-33 4.04286825e-01] [0.00000000e+00 3.72594353e-01 6.70207540e-01] [2.58626049e-34 6.27405647e-01 6.70207540e-01] [1.27405647e-01 5.00000000e-01 1.70207540e-01] [8.72594353e-01 5.00000000e-01 1.70207540e-01] [5.00000000e-01 8.72594353e-01 8.29792460e-01] [5.00000000e-01 1.27405647e-01 8.29792460e-01] [3.72594353e-01 0.00000000e+00 3.29792460e-01] [6.27405647e-01 0.00000000e+00 3.29792460e-01] [1.86124072e-01 3.11699535e-01 4.68279609e-01] [8.13875928e-01 6.88300465e-01 4.68279609e-01] [1.88300465e-01 6.86124072e-01 9.68279609e-01] [8.11699535e-01 3.13875928e-01 9.68279609e-01] [3.13875928e-01 8.11699535e-01 3.17203905e-02] [6.86124072e-01 1.88300465e-01 3.17203905e-02] [3.11699535e-01 1.86124072e-01 5.31720391e-01] [6.88300465e-01 8.13875928e-01 5.31720391e-01] [3.13875928e-01 1.88300465e-01 3.17203905e-02] [6.86124072e-01 8.11699535e-01 3.17203905e-02] [3.11699535e-01 8.13875928e-01 5.31720391e-01] [6.88300465e-01 1.86124072e-01 5.31720391e-01] [1.86124072e-01 6.88300465e-01 4.68279609e-01] [8.13875928e-01 3.11699535e-01 4.68279609e-01] [1.88300465e-01 3.13875928e-01 9.68279609e-01] [8.11699535e-01 6.86124072e-01 9.68279609e-01] [2.00840689e-01 1.21994171e-01 6.12862814e-01] [7.99159311e-01 8.78005829e-01 6.12862814e-01] [3.78005829e-01 7.00840689e-01 1.12862814e-01] [6.21994171e-01 2.99159311e-01 1.12862814e-01] [2.99159311e-01 6.21994171e-01 8.87137186e-01] [7.00840689e-01 3.78005829e-01 8.87137186e-01] [1.21994171e-01 2.00840689e-01 3.87137186e-01] [8.78005829e-01 7.99159311e-01 3.87137186e-01] [2.99159311e-01 3.78005829e-01 8.87137186e-01] [7.00840689e-01 6.21994171e-01 8.87137186e-01] [1.21994171e-01 7.99159311e-01 3.87137186e-01] [8.78005829e-01 2.00840689e-01 3.87137186e-01] [2.00840689e-01 8.78005829e-01 6.12862814e-01] [7.99159311e-01 1.21994171e-01 6.12862814e-01] [3.78005829e-01 2.99159311e-01 1.12862814e-01] [6.21994171e-01 7.00840689e-01 1.12862814e-01] [3.13616129e-01 2.47713064e-01 6.83533870e-01] [6.86383871e-01 7.52286936e-01 6.83533870e-01] [2.52286936e-01 8.13616129e-01 1.83533870e-01] [7.47713064e-01 1.86383871e-01 1.83533870e-01] [1.86383871e-01 7.47713064e-01 8.16466130e-01] [8.13616129e-01 2.52286936e-01 8.16466130e-01] [2.47713064e-01 3.13616129e-01 3.16466130e-01] [7.52286936e-01 6.86383871e-01 3.16466130e-01] [1.86383871e-01 2.52286936e-01 8.16466130e-01] [8.13616129e-01 7.47713064e-01 8.16466130e-01] [2.47713064e-01 6.86383871e-01 3.16466130e-01] [7.52286936e-01 3.13616129e-01 3.16466130e-01] [3.13616129e-01 7.52286936e-01 6.83533870e-01] [6.86383871e-01 2.47713064e-01 6.83533870e-01] [2.52286936e-01 1.86383871e-01 1.83533870e-01] [7.47713064e-01 8.13616129e-01 1.83533870e-01] [1.67770314e-01 3.82445937e-01 7.35004497e-01] [8.32229686e-01 6.17554063e-01 7.35004497e-01] [1.17554063e-01 6.67770314e-01 2.35004497e-01] [8.82445937e-01 3.32229686e-01 2.35004497e-01] [3.32229686e-01 8.82445937e-01 7.64995503e-01] [6.67770314e-01 1.17554063e-01 7.64995503e-01] [3.82445937e-01 1.67770314e-01 2.64995503e-01] [6.17554063e-01 8.32229686e-01 2.64995503e-01] [3.32229686e-01 1.17554063e-01 7.64995503e-01] [6.67770314e-01 8.82445937e-01 7.64995503e-01] [3.82445937e-01 8.32229686e-01 2.64995503e-01] [6.17554063e-01 1.67770314e-01 2.64995503e-01] [1.67770314e-01 6.17554063e-01 7.35004497e-01] [8.32229686e-01 3.82445937e-01 7.35004497e-01] [1.17554063e-01 3.32229686e-01 2.35004497e-01] [8.82445937e-01 6.67770314e-01 2.35004497e-01]] cellpar = Cell([[9.964589250336331, -1.759512212193335e-37, 4.525553249446158e-39], [-3.894426531102555e-37, 9.964589250336337, -2.1605651062212218e-17], [-5.707159744316464e-37, -5.118307632677157e-17, 24.069428541450236]]) forces = [[ 3.68469136e-31 -5.04704099e-48 2.37342890e-30] [-6.14115226e-32 8.83232173e-48 -4.15350057e-30] [ 2.20562221e-47 -5.63603271e-09 8.35953479e-09] [-4.18486078e-46 5.63603271e-09 8.35953479e-09] [ 5.63603271e-09 -1.77783202e-26 8.35953479e-09] [-5.63603271e-09 -1.77753724e-26 8.35953479e-09] [ 4.18486078e-46 -5.63603271e-09 -8.35953479e-09] [-2.20562221e-47 5.63603271e-09 -8.35953479e-09] [-5.63603271e-09 1.77773376e-26 -8.35953479e-09] [ 5.63603271e-09 1.77758637e-26 -8.35953479e-09] [ 4.07513769e-46 -5.24359428e-09 -8.54363433e-09] [-2.35345609e-48 5.24359428e-09 -8.54363433e-09] [ 5.24359428e-09 1.81683297e-26 -8.54363433e-09] [-5.24359428e-09 1.81678384e-26 -8.54363433e-09] [ 4.91292181e-31 -5.24359428e-09 8.54363433e-09] [-4.07513769e-46 5.24359428e-09 8.54363433e-09] [-5.24359428e-09 -1.81680840e-26 8.54363433e-09] [ 5.24359428e-09 -1.81680840e-26 8.54363433e-09] [ 1.22823045e-31 -3.23820146e-09 -2.45792209e-10] [-1.22823045e-31 3.23820146e-09 -2.45792209e-10] [ 3.23820146e-09 5.22794202e-28 -2.45792209e-10] [-3.23820146e-09 5.22671379e-28 -2.45792209e-10] [-1.84234568e-31 -3.23820146e-09 2.45792209e-10] [-3.68469136e-31 3.23820146e-09 2.45792209e-10] [-3.23820146e-09 -5.22917025e-28 2.45792209e-10] [ 3.23820146e-09 -5.22548556e-28 2.45792209e-10] [-7.67644033e-32 -7.28659312e-10 -2.85398148e-09] [ 8.44408436e-32 7.28659312e-10 -2.85398148e-09] [ 7.28659312e-10 6.06904763e-27 -2.85398148e-09] [-7.28659312e-10 6.06929328e-27 -2.85398148e-09] [-3.91934931e-47 -7.28659312e-10 2.85398148e-09] [ 2.45646091e-31 7.28659312e-10 2.85398148e-09] [-7.28659312e-10 -6.06892481e-27 2.85398148e-09] [ 7.28659312e-10 -6.06892481e-27 2.85398148e-09] [ 4.91292181e-31 4.34631954e-09 2.19493625e-09] [ 1.17821070e-46 -4.34631954e-09 2.19493625e-09] [-4.34631954e-09 -4.66698925e-27 2.19493625e-09] [ 4.34631954e-09 -4.66748054e-27 2.19493625e-09] [-4.91292181e-31 4.34631954e-09 -2.19493625e-09] [ 2.21910387e-46 -4.34631954e-09 -2.19493625e-09] [ 4.34631954e-09 4.66784901e-27 -2.19493625e-09] [-4.34631954e-09 4.66723490e-27 -2.19493625e-09] [ 1.25265891e-09 -5.34377432e-09 5.73639727e-09] [-1.25265891e-09 5.34377432e-09 5.73639727e-09] [ 5.34377432e-09 1.25265891e-09 5.73639727e-09] [-5.34377432e-09 -1.25265891e-09 5.73639727e-09] [-1.25265891e-09 -5.34377432e-09 -5.73639727e-09] [ 1.25265891e-09 5.34377432e-09 -5.73639727e-09] [-5.34377432e-09 1.25265891e-09 -5.73639727e-09] [ 5.34377432e-09 -1.25265891e-09 -5.73639727e-09] [-1.25265891e-09 5.34377432e-09 -5.73639727e-09] [ 1.25265891e-09 -5.34377432e-09 -5.73639727e-09] [-5.34377432e-09 -1.25265891e-09 -5.73639727e-09] [ 5.34377432e-09 1.25265891e-09 -5.73639727e-09] [ 1.25265891e-09 5.34377432e-09 5.73639727e-09] [-1.25265891e-09 -5.34377432e-09 5.73639727e-09] [ 5.34377432e-09 -1.25265891e-09 5.73639727e-09] [-5.34377432e-09 1.25265891e-09 5.73639727e-09] [-7.81856453e-10 -3.53447519e-09 4.32485284e-10] [ 7.81856453e-10 3.53447519e-09 4.32485284e-10] [ 3.53447519e-09 -7.81856453e-10 4.32485284e-10] [-3.53447519e-09 7.81856453e-10 4.32485284e-10] [ 7.81856453e-10 -3.53447519e-09 -4.32485284e-10] [-7.81856453e-10 3.53447519e-09 -4.32485284e-10] [-3.53447519e-09 -7.81856453e-10 -4.32485284e-10] [ 3.53447519e-09 7.81856453e-10 -4.32485284e-10] [ 7.81856453e-10 3.53447519e-09 -4.32485284e-10] [-7.81856453e-10 -3.53447519e-09 -4.32485284e-10] [-3.53447519e-09 7.81856453e-10 -4.32485284e-10] [ 3.53447519e-09 -7.81856453e-10 -4.32485284e-10] [-7.81856453e-10 3.53447519e-09 4.32485284e-10] [ 7.81856453e-10 -3.53447519e-09 4.32485284e-10] [ 3.53447519e-09 7.81856453e-10 4.32485284e-10] [-3.53447519e-09 -7.81856453e-10 4.32485284e-10] [ 2.03399046e-10 -1.21133570e-09 1.01179498e-09] [-2.03399046e-10 1.21133570e-09 1.01179498e-09] [ 1.21133570e-09 2.03399046e-10 1.01179498e-09] [-1.21133570e-09 -2.03399046e-10 1.01179498e-09] [-2.03399046e-10 -1.21133570e-09 -1.01179498e-09] [ 2.03399046e-10 1.21133570e-09 -1.01179498e-09] [-1.21133570e-09 2.03399046e-10 -1.01179498e-09] [ 1.21133570e-09 -2.03399046e-10 -1.01179498e-09] [-2.03399046e-10 1.21133570e-09 -1.01179498e-09] [ 2.03399046e-10 -1.21133570e-09 -1.01179498e-09] [-1.21133570e-09 -2.03399046e-10 -1.01179498e-09] [ 1.21133570e-09 2.03399046e-10 -1.01179498e-09] [ 2.03399046e-10 1.21133570e-09 1.01179498e-09] [-2.03399046e-10 -1.21133570e-09 1.01179498e-09] [ 1.21133570e-09 -2.03399046e-10 1.01179498e-09] [-1.21133570e-09 2.03399046e-10 1.01179498e-09] [-7.83245781e-11 5.95532870e-10 1.28444776e-09] [ 7.83245781e-11 -5.95532870e-10 1.28444776e-09] [-5.95532870e-10 -7.83245781e-11 1.28444776e-09] [ 5.95532870e-10 7.83245781e-11 1.28444776e-09] [ 7.83245781e-11 5.95532870e-10 -1.28444776e-09] [-7.83245781e-11 -5.95532870e-10 -1.28444776e-09] [ 5.95532870e-10 -7.83245781e-11 -1.28444776e-09] [-5.95532870e-10 7.83245781e-11 -1.28444776e-09] [ 7.83245781e-11 -5.95532870e-10 -1.28444776e-09] [-7.83245781e-11 5.95532870e-10 -1.28444776e-09] [ 5.95532870e-10 7.83245781e-11 -1.28444776e-09] [-5.95532870e-10 -7.83245781e-11 -1.28444776e-09] [-7.83245781e-11 -5.95532870e-10 1.28444776e-09] [ 7.83245781e-11 5.95532870e-10 1.28444776e-09] [-5.95532870e-10 7.83245781e-11 1.28444776e-09] [ 5.95532870e-10 -7.83245781e-11 1.28444776e-09]] stress = [ 9.80434091e-12 9.80434091e-12 5.34002100e-12 -1.97269968e-27 4.11135772e-34 -1.89654287e-50] energy per atom = -4.399953995846493 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0