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: SW_ZhangXieHu_2014OptimizedSW2_Si__MO_475612090600_005 ==== 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 06:26:42 -345.449329 1.324745 BFGS: 1 06:26:42 -345.836194 1.327733 BFGS: 2 06:26:43 -346.378088 1.313079 BFGS: 3 06:26:43 -346.673191 1.288782 BFGS: 4 06:26:44 -346.892576 1.262103 BFGS: 5 06:26:45 -347.088252 1.235692 BFGS: 6 06:26:45 -347.274608 1.210406 BFGS: 7 06:26:46 -347.455602 1.186454 BFGS: 8 06:26:46 -347.632301 1.163804 BFGS: 9 06:26:47 -347.804940 1.142339 BFGS: 10 06:26:48 -347.973503 1.121919 BFGS: 11 06:26:48 -348.137914 1.102409 BFGS: 12 06:26:49 -348.298110 1.083969 BFGS: 13 06:26:49 -348.454071 1.070104 BFGS: 14 06:26:50 -348.605831 1.056298 BFGS: 15 06:26:50 -348.753481 1.042529 BFGS: 16 06:26:51 -348.897161 1.028776 BFGS: 17 06:26:52 -349.037053 1.015025 BFGS: 18 06:26:52 -349.173371 1.001260 BFGS: 19 06:26:53 -349.306345 0.987470 BFGS: 20 06:26:54 -349.436213 0.973648 BFGS: 21 06:26:54 -349.563214 0.959786 BFGS: 22 06:26:55 -349.687582 0.945879 BFGS: 23 06:26:56 -349.809537 0.931923 BFGS: 24 06:26:56 -349.929285 0.917916 BFGS: 25 06:26:57 -350.047016 0.903856 BFGS: 26 06:26:58 -350.162902 0.889740 BFGS: 27 06:26:58 -350.277097 0.875568 BFGS: 28 06:26:59 -350.389738 0.861340 BFGS: 29 06:26:59 -350.500947 0.847054 BFGS: 30 06:27:00 -350.610828 0.832712 BFGS: 31 06:27:01 -350.719472 0.818311 BFGS: 32 06:27:01 -350.826955 0.803853 BFGS: 33 06:27:02 -350.933344 0.789338 BFGS: 34 06:27:03 -351.038692 0.774765 BFGS: 35 06:27:04 -351.143043 0.760134 BFGS: 36 06:27:04 -351.246433 0.745447 BFGS: 37 06:27:05 -351.348887 0.730702 BFGS: 38 06:27:05 -351.450425 0.715901 BFGS: 39 06:27:06 -351.551059 0.701043 BFGS: 40 06:27:07 -351.650797 0.686129 BFGS: 41 06:27:08 -351.749638 0.671159 BFGS: 42 06:27:08 -351.847580 0.656134 BFGS: 43 06:27:09 -351.944613 0.641053 BFGS: 44 06:27:10 -352.040724 0.625917 BFGS: 45 06:27:11 -352.135898 0.610726 BFGS: 46 06:27:11 -352.230115 0.595482 BFGS: 47 06:27:12 -352.323352 0.580184 BFGS: 48 06:27:12 -352.415583 0.564833 BFGS: 49 06:27:13 -352.506780 0.550524 BFGS: 50 06:27:14 -352.596912 0.537312 BFGS: 51 06:27:15 -352.685946 0.524119 BFGS: 52 06:27:15 -352.773847 0.510945 BFGS: 53 06:27:16 -352.860578 0.497790 BFGS: 54 06:27:16 -352.946100 0.484653 BFGS: 55 06:27:17 -353.030373 0.471535 BFGS: 56 06:27:18 -353.113355 0.458435 BFGS: 57 06:27:19 -353.195002 0.445353 BFGS: 58 06:27:19 -353.275269 0.432291 BFGS: 59 06:27:20 -353.354111 0.419247 BFGS: 60 06:27:20 -353.431480 0.406222 BFGS: 61 06:27:21 -353.507326 0.393218 BFGS: 62 06:27:22 -353.581601 0.380235 BFGS: 63 06:27:22 -353.654253 0.367273 BFGS: 64 06:27:23 -353.725229 0.354334 BFGS: 65 06:27:23 -353.794478 0.341420 BFGS: 66 06:27:24 -353.861943 0.328531 BFGS: 67 06:27:25 -353.927570 0.315669 BFGS: 68 06:27:26 -353.991302 0.302836 BFGS: 69 06:27:26 -354.053080 0.290034 BFGS: 70 06:27:27 -354.112847 0.277266 BFGS: 71 06:27:28 -354.170540 0.264534 BFGS: 72 06:27:28 -354.226098 0.251841 BFGS: 73 06:27:29 -354.279457 0.239191 BFGS: 74 06:27:30 -354.330552 0.226587 BFGS: 75 06:27:30 -354.379316 0.214035 BFGS: 76 06:27:31 -354.425680 0.201538 BFGS: 77 06:27:32 -354.469571 0.189104 BFGS: 78 06:27:32 -354.510915 0.177000 BFGS: 79 06:27:33 -354.549635 0.167038 BFGS: 80 06:27:34 -354.585649 0.156655 BFGS: 81 06:27:35 -354.618872 0.146002 BFGS: 82 06:27:35 -354.649213 0.135012 BFGS: 83 06:27:36 -354.676576 0.123510 BFGS: 84 06:27:37 -354.700854 0.111443 BFGS: 85 06:27:37 -354.721935 0.098740 BFGS: 86 06:27:38 -354.739692 0.085297 BFGS: 87 06:27:39 -354.753989 0.070991 BFGS: 88 06:27:39 -354.764684 0.071750 BFGS: 89 06:27:40 -354.771692 0.085344 BFGS: 90 06:27:40 -354.774809 0.087875 BFGS: 91 06:27:41 -354.779947 0.082426 BFGS: 92 06:27:42 -354.785703 0.069828 BFGS: 93 06:27:42 -354.788644 0.083555 BFGS: 94 06:27:43 -354.789587 0.090322 BFGS: 95 06:27:44 -354.789937 0.091282 BFGS: 96 06:27:45 -354.790768 0.091185 BFGS: 97 06:27:45 -354.792372 0.088649 BFGS: 98 06:27:46 -354.795399 0.080899 BFGS: 99 06:27:47 -354.798188 0.072438 BFGS: 100 06:27:47 -354.800712 0.064355 BFGS: 101 06:27:48 -354.802942 0.056668 BFGS: 102 06:27:48 -354.804910 0.052180 BFGS: 103 06:27:49 -354.806829 0.044778 BFGS: 104 06:27:50 -354.808977 0.042660 BFGS: 105 06:27:51 -354.811520 0.042925 BFGS: 106 06:27:51 -354.814488 0.043557 BFGS: 107 06:27:52 -354.817822 0.044295 BFGS: 108 06:27:53 -354.821402 0.044781 BFGS: 109 06:27:53 -354.825059 0.046620 BFGS: 110 06:27:54 -354.828585 0.052554 BFGS: 111 06:27:55 -354.831737 0.055560 BFGS: 112 06:27:55 -354.834243 0.053148 BFGS: 113 06:27:56 -354.835500 0.044335 BFGS: 114 06:27:56 -354.836690 0.031267 BFGS: 115 06:27:57 -354.837569 0.024383 BFGS: 116 06:27:57 -354.838070 0.022495 BFGS: 117 06:27:58 -354.838506 0.021213 BFGS: 118 06:27:58 -354.838973 0.020171 BFGS: 119 06:27:59 -354.839410 0.016568 BFGS: 120 06:28:00 -354.839726 0.012776 BFGS: 121 06:28:00 -354.839926 0.008982 BFGS: 122 06:28:01 -354.840052 0.006308 BFGS: 123 06:28:01 -354.840133 0.005340 BFGS: 124 06:28:02 -354.840187 0.004385 BFGS: 125 06:28:02 -354.840222 0.004225 BFGS: 126 06:28:03 -354.840241 0.002838 BFGS: 127 06:28:03 -354.840250 0.002172 BFGS: 128 06:28:04 -354.840255 0.001836 BFGS: 129 06:28:04 -354.840259 0.001414 BFGS: 130 06:28:05 -354.840263 0.001551 BFGS: 131 06:28:05 -354.840265 0.001324 BFGS: 132 06:28:06 -354.840267 0.000890 BFGS: 133 06:28:06 -354.840269 0.000889 BFGS: 134 06:28:07 -354.840270 0.000656 BFGS: 135 06:28:07 -354.840270 0.000650 BFGS: 136 06:28:08 -354.840271 0.000559 BFGS: 137 06:28:08 -354.840271 0.000318 BFGS: 138 06:28:09 -354.840271 0.000213 BFGS: 139 06:28:10 -354.840271 0.000150 BFGS: 140 06:28:10 -354.840271 0.000100 BFGS: 141 06:28:11 -354.840271 0.000075 BFGS: 142 06:28:11 -354.840271 0.000073 BFGS: 143 06:28:12 -354.840271 0.000066 BFGS: 144 06:28:12 -354.840271 0.000058 BFGS: 145 06:28:13 -354.840271 0.000048 BFGS: 146 06:28:14 -354.840271 0.000038 BFGS: 147 06:28:14 -354.840271 0.000022 BFGS: 148 06:28:15 -354.840271 0.000013 BFGS: 149 06:28:15 -354.840271 0.000008 BFGS: 150 06:28:16 -354.840271 0.000004 BFGS: 151 06:28:16 -354.840271 0.000003 BFGS: 152 06:28:17 -354.840271 0.000001 BFGS: 153 06:28:17 -354.840271 0.000001 BFGS: 154 06:28:18 -354.840271 0.000000 BFGS: 155 06:28:18 -354.840271 0.000000 BFGS: 156 06:28:19 -354.840271 0.000000 BFGS: 157 06:28:19 -354.840271 0.000000 BFGS: 158 06:28:20 -354.840271 0.000000 BFGS: 159 06:28:21 -354.840271 0.000000 BFGS: 160 06:28:21 -354.840271 0.000000 BFGS: 161 06:28:22 -354.840271 0.000000 BFGS: 162 06:28:23 -354.840271 0.000000 BFGS: 163 06:28:23 -354.840271 0.000000 BFGS: 164 06:28:24 -354.840271 0.000000 Minimization converged after 164 steps. Maximum force component: 9.34414663236358e-09 eV/Angstrom Maximum stress component: 2.1304173251235433e-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 = [[4.92512864e-33 1.28100186e-36 1.69993488e-32] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [3.14844996e-33 1.89566839e-01 9.46446261e-01] [0.00000000e+00 8.10433161e-01 9.46446261e-01] [3.10433161e-01 5.00000000e-01 4.46446261e-01] [6.89566839e-01 5.00000000e-01 4.46446261e-01] [5.00000000e-01 6.89566839e-01 5.53553739e-01] [5.00000000e-01 3.10433161e-01 5.53553739e-01] [1.89566839e-01 7.18802657e-33 5.35537392e-02] [8.10433161e-01 8.48422808e-33 5.35537392e-02] [0.00000000e+00 1.28328142e-01 8.51606096e-01] [1.07621293e-32 8.71671858e-01 8.51606096e-01] [3.71671858e-01 5.00000000e-01 3.51606096e-01] [6.28328142e-01 5.00000000e-01 3.51606096e-01] [5.00000000e-01 6.28328142e-01 6.48393904e-01] [5.00000000e-01 3.71671858e-01 6.48393904e-01] [1.28328142e-01 0.00000000e+00 1.48393904e-01] [8.71671858e-01 0.00000000e+00 1.48393904e-01] [4.89279361e-33 3.79943533e-01 5.21426244e-01] [0.00000000e+00 6.20056467e-01 5.21426244e-01] [1.20056467e-01 5.00000000e-01 2.14262441e-02] [8.79943533e-01 5.00000000e-01 2.14262441e-02] [5.00000000e-01 8.79943533e-01 9.78573756e-01] [5.00000000e-01 1.20056467e-01 9.78573756e-01] [3.79943533e-01 0.00000000e+00 4.78573756e-01] [6.20056467e-01 7.38442074e-33 4.78573756e-01] [6.01796256e-33 2.33419264e-01 5.99453945e-01] [0.00000000e+00 7.66580736e-01 5.99453945e-01] [2.66580736e-01 5.00000000e-01 9.94539453e-02] [7.33419264e-01 5.00000000e-01 9.94539453e-02] [5.00000000e-01 7.33419264e-01 9.00546055e-01] [5.00000000e-01 2.66580736e-01 9.00546055e-01] [2.33419264e-01 0.00000000e+00 4.00546055e-01] [7.66580736e-01 0.00000000e+00 4.00546055e-01] [7.75214024e-33 3.76334503e-01 6.73968574e-01] [1.57055192e-32 6.23665497e-01 6.73968574e-01] [1.23665497e-01 5.00000000e-01 1.73968574e-01] [8.76334503e-01 5.00000000e-01 1.73968574e-01] [5.00000000e-01 8.76334503e-01 8.26031426e-01] [5.00000000e-01 1.23665497e-01 8.26031426e-01] [3.76334503e-01 0.00000000e+00 3.26031426e-01] [6.23665497e-01 0.00000000e+00 3.26031426e-01] [1.85244655e-01 3.16402534e-01 4.71098692e-01] [8.14755345e-01 6.83597466e-01 4.71098692e-01] [1.83597466e-01 6.85244655e-01 9.71098692e-01] [8.16402534e-01 3.14755345e-01 9.71098692e-01] [3.14755345e-01 8.16402534e-01 2.89013083e-02] [6.85244655e-01 1.83597466e-01 2.89013083e-02] [3.16402534e-01 1.85244655e-01 5.28901308e-01] [6.83597466e-01 8.14755345e-01 5.28901308e-01] [3.14755345e-01 1.83597466e-01 2.89013083e-02] [6.85244655e-01 8.16402534e-01 2.89013083e-02] [3.16402534e-01 8.14755345e-01 5.28901308e-01] [6.83597466e-01 1.85244655e-01 5.28901308e-01] [1.85244655e-01 6.83597466e-01 4.71098692e-01] [8.14755345e-01 3.16402534e-01 4.71098692e-01] [1.83597466e-01 3.14755345e-01 9.71098692e-01] [8.16402534e-01 6.85244655e-01 9.71098692e-01] [2.04023380e-01 1.20698199e-01 6.09549288e-01] [7.95976620e-01 8.79301801e-01 6.09549288e-01] [3.79301801e-01 7.04023380e-01 1.09549288e-01] [6.20698199e-01 2.95976620e-01 1.09549288e-01] [2.95976620e-01 6.20698199e-01 8.90450712e-01] [7.04023380e-01 3.79301801e-01 8.90450712e-01] [1.20698199e-01 2.04023380e-01 3.90450712e-01] [8.79301801e-01 7.95976620e-01 3.90450712e-01] [2.95976620e-01 3.79301801e-01 8.90450712e-01] [7.04023380e-01 6.20698199e-01 8.90450712e-01] [1.20698199e-01 7.95976620e-01 3.90450712e-01] [8.79301801e-01 2.04023380e-01 3.90450712e-01] [2.04023380e-01 8.79301801e-01 6.09549288e-01] [7.95976620e-01 1.20698199e-01 6.09549288e-01] [3.79301801e-01 2.95976620e-01 1.09549288e-01] [6.20698199e-01 7.04023380e-01 1.09549288e-01] [3.21560522e-01 2.38233076e-01 6.81070965e-01] [6.78439478e-01 7.61766924e-01 6.81070965e-01] [2.61766924e-01 8.21560522e-01 1.81070965e-01] [7.38233076e-01 1.78439478e-01 1.81070965e-01] [1.78439478e-01 7.38233076e-01 8.18929035e-01] [8.21560522e-01 2.61766924e-01 8.18929035e-01] [2.38233076e-01 3.21560522e-01 3.18929035e-01] [7.61766924e-01 6.78439478e-01 3.18929035e-01] [1.78439478e-01 2.61766924e-01 8.18929035e-01] [8.21560522e-01 7.38233076e-01 8.18929035e-01] [2.38233076e-01 6.78439478e-01 3.18929035e-01] [7.61766924e-01 3.21560522e-01 3.18929035e-01] [3.21560522e-01 7.61766924e-01 6.81070965e-01] [6.78439478e-01 2.38233076e-01 6.81070965e-01] [2.61766924e-01 1.78439478e-01 1.81070965e-01] [7.38233076e-01 8.21560522e-01 1.81070965e-01] [1.80725433e-01 3.83965536e-01 7.30926064e-01] [8.19274567e-01 6.16034464e-01 7.30926064e-01] [1.16034464e-01 6.80725433e-01 2.30926064e-01] [8.83965536e-01 3.19274567e-01 2.30926064e-01] [3.19274567e-01 8.83965536e-01 7.69073936e-01] [6.80725433e-01 1.16034464e-01 7.69073936e-01] [3.83965536e-01 1.80725433e-01 2.69073936e-01] [6.16034464e-01 8.19274567e-01 2.69073936e-01] [3.19274567e-01 1.16034464e-01 7.69073936e-01] [6.80725433e-01 8.83965536e-01 7.69073936e-01] [3.83965536e-01 8.19274567e-01 2.69073936e-01] [6.16034464e-01 1.80725433e-01 2.69073936e-01] [1.80725433e-01 6.16034464e-01 7.30926064e-01] [8.19274567e-01 3.83965536e-01 7.30926064e-01] [1.16034464e-01 3.19274567e-01 2.30926064e-01] [8.83965536e-01 6.80725433e-01 2.30926064e-01]] cellpar = Cell([[9.80645178507225, -1.770940555898515e-36, -8.333241530778524e-39], [-3.252301929315177e-37, 9.806451785072246, -8.671344241951141e-18], [7.252318039072656e-38, -2.090218807078323e-17, 23.055739495722026]]) forces = [[ 4.83495402e-31 -8.73141106e-68 -4.10860529e-70] [ 4.83495402e-31 5.15278719e-49 -5.68367860e-31] [ 1.20873851e-31 -3.78179693e-09 4.37562708e-09] [-2.41747701e-31 3.78179693e-09 4.37562708e-09] [ 3.78179693e-09 -3.96703680e-27 4.37562708e-09] [-3.78179693e-09 -3.96703680e-27 4.37562708e-09] [ 2.41747701e-31 -3.78179693e-09 -4.37562708e-09] [ 3.62621552e-31 3.78179693e-09 -4.37562708e-09] [-3.78179693e-09 3.96715768e-27 -4.37562708e-09] [ 3.78179693e-09 3.96691593e-27 -4.37562708e-09] [-3.08052807e-46 9.34414663e-09 5.86564225e-10] [ 3.11742951e-46 -9.34414663e-09 5.86564225e-10] [-9.34414663e-09 -5.31775428e-28 5.86564225e-10] [ 9.34414663e-09 -5.31896302e-28 5.86564225e-10] [ 4.23058477e-31 9.34414663e-09 -5.86564225e-10] [ 3.08052807e-46 -9.34414663e-09 -5.86564225e-10] [ 9.34414663e-09 5.32017176e-28 -5.86564225e-10] [-9.34414663e-09 5.31684773e-28 -5.86564225e-10] [-9.66990804e-31 -2.49760999e-09 1.09081421e-09] [-9.66990804e-31 2.49760999e-09 1.09081421e-09] [ 2.49760999e-09 -9.89408784e-28 1.09081421e-09] [-2.49760999e-09 -9.88925289e-28 1.09081421e-09] [-9.66990804e-31 -2.49760999e-09 -1.09081421e-09] [-8.62642565e-47 2.49760999e-09 -1.09081421e-09] [-2.49760999e-09 9.89408784e-28 -1.09081421e-09] [ 2.49760999e-09 9.88925289e-28 -1.09081421e-09] [ 6.64806178e-31 1.67063283e-09 9.81643148e-10] [-1.14830158e-30 -1.67063283e-09 9.81643148e-10] [-1.67063283e-09 -8.89709742e-28 9.81643148e-10] [ 1.67063283e-09 -8.89347120e-28 9.81643148e-10] [-5.84942210e-47 1.67063283e-09 -9.81643148e-10] [ 9.66990804e-31 -1.67063283e-09 -9.81643148e-10] [ 1.67063283e-09 8.89830616e-28 -9.81643148e-10] [-1.67063283e-09 8.89830616e-28 -9.81643148e-10] [-9.55231175e-47 2.60445335e-09 -2.90779169e-09] [ 7.72298589e-47 -2.60445335e-09 -2.90779169e-09] [-2.60445335e-09 2.63594387e-27 -2.90779169e-09] [ 2.60445335e-09 2.63594387e-27 -2.90779169e-09] [ 9.66990804e-31 2.60445335e-09 2.90779169e-09] [ 7.25243103e-31 -2.60445335e-09 2.90779169e-09] [ 2.60445335e-09 -2.63715261e-27 2.90779169e-09] [-2.60445335e-09 -2.63521862e-27 2.90779169e-09] [-5.95116913e-10 3.76101241e-09 -4.61616027e-10] [ 5.95116913e-10 -3.76101241e-09 -4.61616027e-10] [-3.76101241e-09 -5.95116913e-10 -4.61616027e-10] [ 3.76101241e-09 5.95116913e-10 -4.61616027e-10] [ 5.95116913e-10 3.76101241e-09 4.61616027e-10] [-5.95116913e-10 -3.76101241e-09 4.61616027e-10] [ 3.76101241e-09 -5.95116913e-10 4.61616027e-10] [-3.76101241e-09 5.95116913e-10 4.61616027e-10] [ 5.95116913e-10 -3.76101241e-09 4.61616027e-10] [-5.95116913e-10 3.76101241e-09 4.61616027e-10] [ 3.76101241e-09 5.95116913e-10 4.61616027e-10] [-3.76101241e-09 -5.95116913e-10 4.61616027e-10] [-5.95116913e-10 -3.76101241e-09 -4.61616027e-10] [ 5.95116913e-10 3.76101241e-09 -4.61616027e-10] [-3.76101241e-09 5.95116913e-10 -4.61616027e-10] [ 3.76101241e-09 -5.95116913e-10 -4.61616027e-10] [ 2.42331843e-11 1.76874004e-09 1.73575218e-09] [-2.42331843e-11 -1.76874004e-09 1.73575218e-09] [-1.76874004e-09 2.42331843e-11 1.73575218e-09] [ 1.76874004e-09 -2.42331843e-11 1.73575218e-09] [-2.42331843e-11 1.76874004e-09 -1.73575218e-09] [ 2.42331843e-11 -1.76874004e-09 -1.73575218e-09] [ 1.76874004e-09 2.42331843e-11 -1.73575218e-09] [-1.76874004e-09 -2.42331843e-11 -1.73575218e-09] [-2.42331843e-11 -1.76874004e-09 -1.73575218e-09] [ 2.42331843e-11 1.76874004e-09 -1.73575218e-09] [ 1.76874004e-09 -2.42331843e-11 -1.73575218e-09] [-1.76874004e-09 2.42331843e-11 -1.73575218e-09] [ 2.42331843e-11 -1.76874004e-09 1.73575218e-09] [-2.42331843e-11 1.76874004e-09 1.73575218e-09] [-1.76874004e-09 -2.42331843e-11 1.73575218e-09] [ 1.76874004e-09 2.42331843e-11 1.73575218e-09] [-2.63529015e-09 -4.55231073e-10 3.11962798e-09] [ 2.63529015e-09 4.55231073e-10 3.11962798e-09] [ 4.55231073e-10 -2.63529015e-09 3.11962798e-09] [-4.55231073e-10 2.63529015e-09 3.11962798e-09] [ 2.63529015e-09 -4.55231073e-10 -3.11962798e-09] [-2.63529015e-09 4.55231073e-10 -3.11962798e-09] [-4.55231073e-10 -2.63529015e-09 -3.11962798e-09] [ 4.55231073e-10 2.63529015e-09 -3.11962798e-09] [ 2.63529015e-09 4.55231073e-10 -3.11962798e-09] [-2.63529015e-09 -4.55231073e-10 -3.11962798e-09] [-4.55231073e-10 2.63529015e-09 -3.11962798e-09] [ 4.55231073e-10 -2.63529015e-09 -3.11962798e-09] [-2.63529015e-09 4.55231073e-10 3.11962798e-09] [ 2.63529015e-09 -4.55231073e-10 3.11962798e-09] [ 4.55231073e-10 2.63529015e-09 3.11962798e-09] [-4.55231073e-10 -2.63529015e-09 3.11962798e-09] [ 1.25350662e-09 6.11167412e-09 1.69257472e-09] [-1.25350662e-09 -6.11167412e-09 1.69257472e-09] [-6.11167412e-09 1.25350662e-09 1.69257472e-09] [ 6.11167412e-09 -1.25350662e-09 1.69257472e-09] [-1.25350662e-09 6.11167412e-09 -1.69257472e-09] [ 1.25350662e-09 -6.11167412e-09 -1.69257472e-09] [ 6.11167412e-09 1.25350662e-09 -1.69257472e-09] [-6.11167412e-09 -1.25350662e-09 -1.69257472e-09] [-1.25350662e-09 -6.11167412e-09 -1.69257472e-09] [ 1.25350662e-09 6.11167412e-09 -1.69257472e-09] [ 6.11167412e-09 -1.25350662e-09 -1.69257472e-09] [-6.11167412e-09 1.25350662e-09 -1.69257472e-09] [ 1.25350662e-09 -6.11167412e-09 1.69257472e-09] [-1.25350662e-09 6.11167412e-09 1.69257472e-09] [-6.11167412e-09 -1.25350662e-09 1.69257472e-09] [ 6.11167412e-09 1.25350662e-09 1.69257472e-09]] stress = [-2.13041733e-11 -2.13041733e-11 -8.66653215e-12 -1.52246319e-28 -8.36740528e-50 2.99319057e-65] energy per atom = -3.3475497299940153 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.