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: Sim_LAMMPS_MEAM_DuLenoskyHennig_2011_Si__SM_662785656123_000 ==== 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 17:24:32 -467.163372 0.5576 BFGS: 1 17:24:33 -467.278786 0.4680 BFGS: 2 17:24:33 -467.614787 0.3257 BFGS: 3 17:24:33 -467.659756 0.3236 BFGS: 4 17:24:33 -467.791849 0.3065 BFGS: 5 17:24:33 -467.841607 0.3094 BFGS: 6 17:24:33 -467.905073 0.3123 BFGS: 7 17:24:34 -467.930658 0.3076 BFGS: 8 17:24:34 -467.966630 0.2934 BFGS: 9 17:24:34 -467.990529 0.2815 BFGS: 10 17:24:34 -468.026628 0.2646 BFGS: 11 17:24:34 -468.059262 0.2510 BFGS: 12 17:24:34 -468.087983 0.2397 BFGS: 13 17:24:34 -468.111876 0.2297 BFGS: 14 17:24:34 -468.132101 0.2210 BFGS: 15 17:24:34 -468.156444 0.2099 BFGS: 16 17:24:34 -468.180863 0.1976 BFGS: 17 17:24:34 -468.204890 0.1847 BFGS: 18 17:24:35 -468.228275 0.1731 BFGS: 19 17:24:35 -468.250980 0.1861 BFGS: 20 17:24:35 -468.272988 0.1909 BFGS: 21 17:24:36 -468.294217 0.1890 BFGS: 22 17:24:36 -468.314565 0.1818 BFGS: 23 17:24:36 -468.333924 0.1703 BFGS: 24 17:24:37 -468.352182 0.1552 BFGS: 25 17:24:37 -468.369211 0.1372 BFGS: 26 17:24:38 -468.384927 0.1169 BFGS: 27 17:24:38 -468.399260 0.0960 BFGS: 28 17:24:38 -468.412156 0.0937 BFGS: 29 17:24:39 -468.423583 0.0912 BFGS: 30 17:24:39 -468.433544 0.0877 BFGS: 31 17:24:40 -468.442096 0.0816 BFGS: 32 17:24:40 -468.449423 0.0698 BFGS: 33 17:24:41 -468.454954 0.0520 BFGS: 34 17:24:41 -468.459596 0.0497 BFGS: 35 17:24:42 -468.463851 0.0430 BFGS: 36 17:24:42 -468.465755 0.0335 BFGS: 37 17:24:42 -468.467202 0.0338 BFGS: 38 17:24:42 -468.469035 0.0397 BFGS: 39 17:24:43 -468.471497 0.0442 BFGS: 40 17:24:43 -468.473799 0.0417 BFGS: 41 17:24:43 -468.475053 0.0352 BFGS: 42 17:24:44 -468.476160 0.0269 BFGS: 43 17:24:44 -468.477182 0.0270 BFGS: 44 17:24:44 -468.477998 0.0245 BFGS: 45 17:24:45 -468.478496 0.0217 BFGS: 46 17:24:45 -468.478881 0.0198 BFGS: 47 17:24:45 -468.479272 0.0189 BFGS: 48 17:24:46 -468.479614 0.0194 BFGS: 49 17:24:46 -468.479850 0.0206 BFGS: 50 17:24:47 -468.480041 0.0215 BFGS: 51 17:24:47 -468.480270 0.0219 BFGS: 52 17:24:47 -468.480530 0.0213 BFGS: 53 17:24:48 -468.480736 0.0200 BFGS: 54 17:24:48 -468.480853 0.0190 BFGS: 55 17:24:48 -468.480930 0.0188 BFGS: 56 17:24:48 -468.480999 0.0192 BFGS: 57 17:24:48 -468.481054 0.0200 BFGS: 58 17:24:48 -468.481099 0.0208 BFGS: 59 17:24:49 -468.481152 0.0213 BFGS: 60 17:24:49 -468.481242 0.0214 BFGS: 61 17:24:49 -468.481395 0.0206 BFGS: 62 17:24:50 -468.481610 0.0185 BFGS: 63 17:24:50 -468.481844 0.0155 BFGS: 64 17:24:50 -468.482059 0.0127 BFGS: 65 17:24:50 -468.482262 0.0131 BFGS: 66 17:24:51 -468.482479 0.0133 BFGS: 67 17:24:51 -468.482730 0.0175 BFGS: 68 17:24:51 -468.483050 0.0221 BFGS: 69 17:24:51 -468.483490 0.0240 BFGS: 70 17:24:52 -468.484041 0.0215 BFGS: 71 17:24:52 -468.484526 0.0142 BFGS: 72 17:24:52 -468.484781 0.0087 BFGS: 73 17:24:53 -468.484872 0.0068 BFGS: 74 17:24:53 -468.484915 0.0066 BFGS: 75 17:24:53 -468.484950 0.0053 BFGS: 76 17:24:54 -468.484973 0.0038 BFGS: 77 17:24:54 -468.484988 0.0035 BFGS: 78 17:24:54 -468.484997 0.0022 BFGS: 79 17:24:55 -468.485004 0.0016 BFGS: 80 17:24:55 -468.485008 0.0016 BFGS: 81 17:24:55 -468.485009 0.0013 BFGS: 82 17:24:55 -468.485010 0.0008 BFGS: 83 17:24:56 -468.485011 0.0004 BFGS: 84 17:24:56 -468.485011 0.0003 BFGS: 85 17:24:56 -468.485011 0.0001 BFGS: 86 17:24:57 -468.485011 0.0001 BFGS: 87 17:24:57 -468.485011 0.0001 BFGS: 88 17:24:57 -468.485011 0.0000 BFGS: 89 17:24:58 -468.485011 0.0000 BFGS: 90 17:24:58 -468.485011 0.0000 BFGS: 91 17:24:58 -468.485011 0.0000 BFGS: 92 17:24:59 -468.485011 0.0000 BFGS: 93 17:24:59 -468.485011 0.0000 BFGS: 94 17:25:00 -468.485011 0.0000 BFGS: 95 17:25:00 -468.485011 0.0000 BFGS: 96 17:25:01 -468.485011 0.0000 BFGS: 97 17:25:01 -468.485011 0.0000 BFGS: 98 17:25:01 -468.485011 0.0000 BFGS: 99 17:25:01 -468.485011 0.0000 BFGS: 100 17:25:01 -468.485011 0.0000 BFGS: 101 17:25:01 -468.485011 0.0000 BFGS: 102 17:25:02 -468.485011 0.0000 BFGS: 103 17:25:02 -468.485011 0.0000 BFGS: 104 17:25:02 -468.485011 0.0000 BFGS: 105 17:25:03 -468.485011 0.0000 Minimization converged after 105 steps. Maximum force component: 9.48033444424983e-09 eV/Angstrom Maximum stress component: 3.3491248772589324e-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'] basis = [[0.00000000e+00 1.41535418e-34 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [3.29631831e-33 1.88750181e-01 9.43428917e-01] [0.00000000e+00 8.11249819e-01 9.43428917e-01] [3.11249819e-01 5.00000000e-01 4.43428917e-01] [6.88750181e-01 5.00000000e-01 4.43428917e-01] [5.00000000e-01 6.88750181e-01 5.56571083e-01] [5.00000000e-01 3.11249819e-01 5.56571083e-01] [1.88750181e-01 7.34635232e-33 5.65710830e-02] [8.11249819e-01 0.00000000e+00 5.65710830e-02] [1.78902047e-32 1.29804306e-01 8.48834548e-01] [0.00000000e+00 8.70195694e-01 8.48834548e-01] [3.70195694e-01 5.00000000e-01 3.48834548e-01] [6.29804306e-01 5.00000000e-01 3.48834548e-01] [5.00000000e-01 6.29804306e-01 6.51165452e-01] [5.00000000e-01 3.70195694e-01 6.51165452e-01] [1.29804306e-01 0.00000000e+00 1.51165452e-01] [8.70195694e-01 0.00000000e+00 1.51165452e-01] [3.52374412e-34 3.79497932e-01 5.20919755e-01] [1.62331867e-32 6.20502068e-01 5.20919755e-01] [1.20502068e-01 5.00000000e-01 2.09197552e-02] [8.79497932e-01 5.00000000e-01 2.09197552e-02] [5.00000000e-01 8.79497932e-01 9.79080245e-01] [5.00000000e-01 1.20502068e-01 9.79080245e-01] [3.79497932e-01 6.07254354e-33 4.79080245e-01] [6.20502068e-01 0.00000000e+00 4.79080245e-01] [0.00000000e+00 2.38978466e-01 6.00488279e-01] [1.18440033e-32 7.61021534e-01 6.00488279e-01] [2.61021534e-01 5.00000000e-01 1.00488279e-01] [7.38978466e-01 5.00000000e-01 1.00488279e-01] [5.00000000e-01 7.38978466e-01 8.99511721e-01] [5.00000000e-01 2.61021534e-01 8.99511721e-01] [2.38978466e-01 0.00000000e+00 3.99511721e-01] [7.61021534e-01 0.00000000e+00 3.99511721e-01] [0.00000000e+00 3.77406268e-01 6.76369310e-01] [5.42015401e-33 6.22593732e-01 6.76369310e-01] [1.22593732e-01 5.00000000e-01 1.76369310e-01] [8.77406268e-01 5.00000000e-01 1.76369310e-01] [5.00000000e-01 8.77406268e-01 8.23630690e-01] [5.00000000e-01 1.22593732e-01 8.23630690e-01] [3.77406268e-01 1.16714684e-32 3.23630690e-01] [6.22593732e-01 0.00000000e+00 3.23630690e-01] [1.85173206e-01 3.13575549e-01 4.69330806e-01] [8.14826794e-01 6.86424451e-01 4.69330806e-01] [1.86424451e-01 6.85173206e-01 9.69330806e-01] [8.13575549e-01 3.14826794e-01 9.69330806e-01] [3.14826794e-01 8.13575549e-01 3.06691943e-02] [6.85173206e-01 1.86424451e-01 3.06691943e-02] [3.13575549e-01 1.85173206e-01 5.30669194e-01] [6.86424451e-01 8.14826794e-01 5.30669194e-01] [3.14826794e-01 1.86424451e-01 3.06691943e-02] [6.85173206e-01 8.13575549e-01 3.06691943e-02] [3.13575549e-01 8.14826794e-01 5.30669194e-01] [6.86424451e-01 1.85173206e-01 5.30669194e-01] [1.85173206e-01 6.86424451e-01 4.69330806e-01] [8.14826794e-01 3.13575549e-01 4.69330806e-01] [1.86424451e-01 3.14826794e-01 9.69330806e-01] [8.13575549e-01 6.85173206e-01 9.69330806e-01] [2.00779472e-01 1.22292160e-01 6.11828945e-01] [7.99220528e-01 8.77707840e-01 6.11828945e-01] [3.77707840e-01 7.00779472e-01 1.11828945e-01] [6.22292160e-01 2.99220528e-01 1.11828945e-01] [2.99220528e-01 6.22292160e-01 8.88171055e-01] [7.00779472e-01 3.77707840e-01 8.88171055e-01] [1.22292160e-01 2.00779472e-01 3.88171055e-01] [8.77707840e-01 7.99220528e-01 3.88171055e-01] [2.99220528e-01 3.77707840e-01 8.88171055e-01] [7.00779472e-01 6.22292160e-01 8.88171055e-01] [1.22292160e-01 7.99220528e-01 3.88171055e-01] [8.77707840e-01 2.00779472e-01 3.88171055e-01] [2.00779472e-01 8.77707840e-01 6.11828945e-01] [7.99220528e-01 1.22292160e-01 6.11828945e-01] [3.77707840e-01 2.99220528e-01 1.11828945e-01] [6.22292160e-01 7.00779472e-01 1.11828945e-01] [3.16366778e-01 2.43597855e-01 6.82780569e-01] [6.83633222e-01 7.56402145e-01 6.82780569e-01] [2.56402145e-01 8.16366778e-01 1.82780569e-01] [7.43597855e-01 1.83633222e-01 1.82780569e-01] [1.83633222e-01 7.43597855e-01 8.17219431e-01] [8.16366778e-01 2.56402145e-01 8.17219431e-01] [2.43597855e-01 3.16366778e-01 3.17219431e-01] [7.56402145e-01 6.83633222e-01 3.17219431e-01] [1.83633222e-01 2.56402145e-01 8.17219431e-01] [8.16366778e-01 7.43597855e-01 8.17219431e-01] [2.43597855e-01 6.83633222e-01 3.17219431e-01] [7.56402145e-01 3.16366778e-01 3.17219431e-01] [3.16366778e-01 7.56402145e-01 6.82780569e-01] [6.83633222e-01 2.43597855e-01 6.82780569e-01] [2.56402145e-01 1.83633222e-01 1.82780569e-01] [7.43597855e-01 8.16366778e-01 1.82780569e-01] [1.77944899e-01 3.83147898e-01 7.34749049e-01] [8.22055101e-01 6.16852102e-01 7.34749049e-01] [1.16852102e-01 6.77944899e-01 2.34749049e-01] [8.83147898e-01 3.22055101e-01 2.34749049e-01] [3.22055101e-01 8.83147898e-01 7.65250951e-01] [6.77944899e-01 1.16852102e-01 7.65250951e-01] [3.83147898e-01 1.77944899e-01 2.65250951e-01] [6.16852102e-01 8.22055101e-01 2.65250951e-01] [3.22055101e-01 1.16852102e-01 7.65250951e-01] [6.77944899e-01 8.83147898e-01 7.65250951e-01] [3.83147898e-01 8.22055101e-01 2.65250951e-01] [6.16852102e-01 1.77944899e-01 2.65250951e-01] [1.77944899e-01 6.16852102e-01 7.34749049e-01] [8.22055101e-01 3.83147898e-01 7.34749049e-01] [1.16852102e-01 3.22055101e-01 2.34749049e-01] [8.83147898e-01 6.77944899e-01 2.34749049e-01]] cellpar = Cell([[10.007191851430793, 1.2617133792925021e-36, 1.564753982415847e-39], [1.0594919713138546e-36, 10.007191851430784, -1.5942957715641524e-20], [-8.830730807194269e-39, -3.9090962170441494e-20, 24.027887595667814]]) forces = [[ 7.40088977e-31 -8.86564921e-32 1.41243090e-52] [-4.93392651e-31 1.92733324e-51 -1.18466632e-30] [-6.16740814e-32 -2.14102360e-09 -2.11618024e-09] [ 1.23348163e-31 2.14102360e-09 -2.11618024e-09] [ 2.14102360e-09 2.94942027e-30 -2.11618024e-09] [-2.14102360e-09 3.56616108e-30 -2.11618024e-09] [-2.27454448e-46 -2.14102360e-09 2.11618024e-09] [ 2.25898970e-46 2.14102360e-09 2.11618024e-09] [-2.14102360e-09 -3.93620557e-30 2.11618024e-09] [ 2.14102360e-09 -3.44281292e-30 2.11618024e-09] [ 8.77165352e-46 8.29474397e-09 2.78768543e-09] [-7.40088977e-31 -8.29474397e-09 2.78768543e-09] [-8.29474397e-09 -5.52206978e-30 2.78768543e-09] [ 8.29474397e-09 -4.04189183e-30 2.78768543e-09] [ 8.79214413e-46 8.29474397e-09 -2.78768543e-09] [-8.77165352e-46 -8.29474397e-09 -2.78768543e-09] [ 8.29474397e-09 5.21369938e-30 -2.78768543e-09] [-8.29474397e-09 4.96700305e-30 -2.78768543e-09] [ 4.93392651e-31 9.48033444e-09 -2.63304029e-09] [ 2.46696326e-31 -9.48033444e-09 -2.63304029e-09] [-9.48033444e-09 3.79029970e-30 -2.63304029e-09] [ 9.48033444e-09 5.27047766e-30 -2.63304029e-09] [-3.08370407e-31 9.48033444e-09 2.63304029e-09] [-1.23348163e-31 -9.48033444e-09 2.63304029e-09] [ 9.48033444e-09 -4.77708501e-30 2.63304029e-09] [-9.48033444e-09 -5.27047766e-30 2.63304029e-09] [ 6.16740814e-31 -6.58169237e-09 6.46364758e-09] [-6.16740814e-31 6.58169237e-09 6.46364758e-09] [ 6.58169237e-09 -1.12557950e-29 6.46364758e-09] [-6.58169237e-09 -1.00223134e-29 6.46364758e-09] [-6.94448357e-46 -6.58169237e-09 -6.46364758e-09] [ 6.99199398e-46 6.58169237e-09 -6.46364758e-09] [-6.58169237e-09 1.13791432e-29 -6.46364758e-09] [ 6.58169237e-09 1.08857505e-29 -6.46364758e-09] [-2.74550170e-47 -2.62837990e-10 -1.01339749e-09] [ 2.81999048e-47 2.62837990e-10 -1.01339749e-09] [ 2.62837990e-10 1.52534787e-30 -1.01339749e-09] [-2.62837990e-10 1.52534787e-30 -1.01339749e-09] [-2.81999048e-47 -2.62837990e-10 1.01339749e-09] [ 2.74550170e-47 2.62837990e-10 1.01339749e-09] [-2.62837990e-10 -1.64869603e-30 1.01339749e-09] [ 2.62837990e-10 -1.64869603e-30 1.01339749e-09] [-4.69767141e-09 6.17502333e-09 -4.68094893e-09] [ 4.69767141e-09 -6.17502333e-09 -4.68094893e-09] [-6.17502333e-09 -4.69767141e-09 -4.68094893e-09] [ 6.17502333e-09 4.69767141e-09 -4.68094893e-09] [ 4.69767141e-09 6.17502333e-09 4.68094893e-09] [-4.69767141e-09 -6.17502333e-09 4.68094893e-09] [ 6.17502333e-09 -4.69767141e-09 4.68094893e-09] [-6.17502333e-09 4.69767141e-09 4.68094893e-09] [ 4.69767141e-09 -6.17502333e-09 4.68094893e-09] [-4.69767141e-09 6.17502333e-09 4.68094893e-09] [ 6.17502333e-09 4.69767141e-09 4.68094893e-09] [-6.17502333e-09 -4.69767141e-09 4.68094893e-09] [-4.69767141e-09 -6.17502333e-09 -4.68094893e-09] [ 4.69767141e-09 6.17502333e-09 -4.68094893e-09] [-6.17502333e-09 4.69767141e-09 -4.68094893e-09] [ 6.17502333e-09 -4.69767141e-09 -4.68094893e-09] [-2.13112653e-09 2.08280894e-09 2.68957552e-09] [ 2.13112653e-09 -2.08280894e-09 2.68957552e-09] [-2.08280894e-09 -2.13112653e-09 2.68957552e-09] [ 2.08280894e-09 2.13112653e-09 2.68957552e-09] [ 2.13112653e-09 2.08280894e-09 -2.68957552e-09] [-2.13112653e-09 -2.08280894e-09 -2.68957552e-09] [ 2.08280894e-09 -2.13112653e-09 -2.68957552e-09] [-2.08280894e-09 2.13112653e-09 -2.68957552e-09] [ 2.13112653e-09 -2.08280894e-09 -2.68957552e-09] [-2.13112653e-09 2.08280894e-09 -2.68957552e-09] [ 2.08280894e-09 2.13112653e-09 -2.68957552e-09] [-2.08280894e-09 -2.13112653e-09 -2.68957552e-09] [-2.13112653e-09 -2.08280894e-09 2.68957552e-09] [ 2.13112653e-09 2.08280894e-09 2.68957552e-09] [-2.08280894e-09 2.13112653e-09 2.68957552e-09] [ 2.08280894e-09 -2.13112653e-09 2.68957552e-09] [-1.72463532e-09 4.39559346e-09 -2.49569032e-09] [ 1.72463532e-09 -4.39559346e-09 -2.49569032e-09] [-4.39559346e-09 -1.72463532e-09 -2.49569032e-09] [ 4.39559346e-09 1.72463532e-09 -2.49569032e-09] [ 1.72463532e-09 4.39559346e-09 2.49569032e-09] [-1.72463532e-09 -4.39559346e-09 2.49569032e-09] [ 4.39559346e-09 -1.72463532e-09 2.49569032e-09] [-4.39559346e-09 1.72463532e-09 2.49569032e-09] [ 1.72463532e-09 -4.39559346e-09 2.49569032e-09] [-1.72463532e-09 4.39559346e-09 2.49569032e-09] [ 4.39559346e-09 1.72463532e-09 2.49569032e-09] [-4.39559346e-09 -1.72463532e-09 2.49569032e-09] [-1.72463532e-09 -4.39559346e-09 -2.49569032e-09] [ 1.72463532e-09 4.39559346e-09 -2.49569032e-09] [-4.39559346e-09 1.72463532e-09 -2.49569032e-09] [ 4.39559346e-09 -1.72463532e-09 -2.49569032e-09] [ 6.51195088e-10 -4.56777578e-09 -3.92308668e-09] [-6.51195088e-10 4.56777578e-09 -3.92308668e-09] [ 4.56777578e-09 6.51195088e-10 -3.92308668e-09] [-4.56777578e-09 -6.51195088e-10 -3.92308668e-09] [-6.51195088e-10 -4.56777578e-09 3.92308668e-09] [ 6.51195088e-10 4.56777578e-09 3.92308668e-09] [-4.56777578e-09 6.51195088e-10 3.92308668e-09] [ 4.56777578e-09 -6.51195088e-10 3.92308668e-09] [-6.51195088e-10 4.56777578e-09 3.92308668e-09] [ 6.51195088e-10 -4.56777578e-09 3.92308668e-09] [-4.56777578e-09 -6.51195088e-10 3.92308668e-09] [ 4.56777578e-09 6.51195088e-10 3.92308668e-09] [ 6.51195088e-10 4.56777578e-09 -3.92308668e-09] [-6.51195088e-10 -4.56777578e-09 -3.92308668e-09] [ 4.56777578e-09 -6.51195088e-10 -3.92308668e-09] [-4.56777578e-09 6.51195088e-10 -3.92308668e-09]] stress = [ 3.34912488e-11 3.34912488e-11 -3.31143767e-11 5.42655229e-28 -3.28074606e-33 4.89683851e-50] energy per atom = -4.419669914166823 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0