element(s): ['B'] AFLOW prototype label: A_hR105_166_ac9h4i Parameter names: ['a', 'c/a', 'x2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'z6', 'x7', 'z7', 'x8', 'z8', 'x9', 'z9', 'x10', 'z10', 'x11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.91326', '2.1759805', '0.11520651', '0.49724858', '0.33645544', '0.40033609', '0.65871094', '0.50455492', '0.83541561', '0.39590867', '0.0096481682', '0.30113946', '0.81327725', '0.30083598', '0.99410799', '0.11558692', '0.9317672', '0.010731062', '0.27881581', '0.1184765', '0.28643653', '0.49610914', '0.150688', '0.32577354', '0.6048749', '0.94904375', '0.33403159', '0.29981658', '0.81592125', '0.12440485', '0.40404333', '0.9196975', '0.13644822'] model name: Tersoff_LAMMPS_DawLawsonBauschlicher_2011_HfB__MO_328263916986_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B'] representative atom coordinates = [[0. 0. 0. ] [0. 0. 0.11520651] [0.05359771 0.94640229 0.44365087] [0.91387505 0.08612495 0.48646104] [0.8897131 0.1102869 0.61484182] [0.1287535 0.8712465 0.26715517] [0.8292874 0.1707126 0.47185206] [0.76890933 0.23109067 0.53192665] [0.72793991 0.27206009 0.38764701] [0.91063842 0.08936158 0.10009264] [0.94401332 0.05598668 0.17446318] [0.00158331 0.17350223 0.32419023] [0.70471484 0.680273 0.62931675] [0.71102396 0.59745964 0.41338089] [0.64971854 0.56703218 0.48672968]] spacegroup = 166 cell = [[10.9133, 0, 0], [-5.45665, 9.4511950391207, 0], [0, 0, 23.747]] ========================================= Step Time Energy fmax BFGS: 0 15:43:57 -1656.417466 1.8302 BFGS: 1 15:43:57 -1660.858031 1.2717 BFGS: 2 15:43:58 -1662.941152 0.9966 BFGS: 3 15:43:58 -1663.959180 0.9814 BFGS: 4 15:43:59 -1664.978699 0.9252 BFGS: 5 15:44:00 -1665.459927 0.8763 BFGS: 6 15:44:01 -1665.772186 0.8650 BFGS: 7 15:44:02 -1665.988786 0.8548 BFGS: 8 15:44:02 -1666.211527 0.8503 BFGS: 9 15:44:03 -1666.402710 0.8479 BFGS: 10 15:44:04 -1666.570466 0.8459 BFGS: 11 15:44:05 -1666.723574 0.8435 BFGS: 12 15:44:06 -1666.868307 0.8405 BFGS: 13 15:44:07 -1667.008055 0.8368 BFGS: 14 15:44:08 -1667.144404 0.8326 BFGS: 15 15:44:08 -1667.278037 0.8279 BFGS: 16 15:44:09 -1667.409241 0.8228 BFGS: 17 15:44:10 -1667.538167 0.8174 BFGS: 18 15:44:10 -1667.664941 0.8118 BFGS: 19 15:44:11 -1667.789706 0.8060 BFGS: 20 15:44:11 -1667.912632 0.8001 BFGS: 21 15:44:12 -1668.033905 0.7940 BFGS: 22 15:44:12 -1668.153718 0.7879 BFGS: 23 15:44:12 -1668.272262 0.7817 BFGS: 24 15:44:13 -1668.389716 0.7754 BFGS: 25 15:44:14 -1668.506248 0.7691 BFGS: 26 15:44:14 -1668.622005 0.7627 BFGS: 27 15:44:15 -1668.737121 0.7563 BFGS: 28 15:44:15 -1668.851711 0.7499 BFGS: 29 15:44:16 -1668.965873 0.7435 BFGS: 30 15:44:17 -1669.079693 0.7370 BFGS: 31 15:44:17 -1669.193242 0.7306 BFGS: 32 15:44:18 -1669.306581 0.7241 BFGS: 33 15:44:19 -1669.419760 0.7176 BFGS: 34 15:44:19 -1669.532820 0.7110 BFGS: 35 15:44:20 -1669.645795 0.7045 BFGS: 36 15:44:20 -1669.758711 0.6980 BFGS: 37 15:44:20 -1669.871590 0.6914 BFGS: 38 15:44:21 -1669.984447 0.6849 BFGS: 39 15:44:21 -1670.097294 0.6783 BFGS: 40 15:44:22 -1670.210139 0.6717 BFGS: 41 15:44:22 -1670.322986 0.6651 BFGS: 42 15:44:23 -1670.435837 0.6586 BFGS: 43 15:44:23 -1670.548690 0.6520 BFGS: 44 15:44:24 -1670.661541 0.6454 BFGS: 45 15:44:24 -1670.774385 0.6388 BFGS: 46 15:44:25 -1670.887215 0.6321 BFGS: 47 15:44:25 -1671.000020 0.6255 BFGS: 48 15:44:26 -1671.112791 0.6189 BFGS: 49 15:44:26 -1671.225514 0.6123 BFGS: 50 15:44:27 -1671.338176 0.6057 BFGS: 51 15:44:28 -1671.450762 0.5991 BFGS: 52 15:44:28 -1671.563257 0.5924 BFGS: 53 15:44:29 -1671.675642 0.5858 BFGS: 54 15:44:30 -1671.787900 0.5792 BFGS: 55 15:44:31 -1671.900011 0.5726 BFGS: 56 15:44:31 -1672.011956 0.5660 BFGS: 57 15:44:31 -1672.123712 0.5594 BFGS: 58 15:44:32 -1672.235259 0.5527 BFGS: 59 15:44:32 -1672.346573 0.5461 BFGS: 60 15:44:33 -1672.457630 0.5395 BFGS: 61 15:44:33 -1672.568407 0.5329 BFGS: 62 15:44:33 -1672.678877 0.5264 BFGS: 63 15:44:34 -1672.789015 0.5198 BFGS: 64 15:44:35 -1672.898795 0.5132 BFGS: 65 15:44:35 -1673.008188 0.5067 BFGS: 66 15:44:36 -1673.117167 0.5001 BFGS: 67 15:44:36 -1673.225702 0.4936 BFGS: 68 15:44:37 -1673.333766 0.4870 BFGS: 69 15:44:38 -1673.441327 0.4805 BFGS: 70 15:44:38 -1673.548355 0.4740 BFGS: 71 15:44:39 -1673.654819 0.4676 BFGS: 72 15:44:40 -1673.760688 0.4611 BFGS: 73 15:44:40 -1673.865929 0.4547 BFGS: 74 15:44:41 -1673.970511 0.4483 BFGS: 75 15:44:41 -1674.074399 0.4419 BFGS: 76 15:44:41 -1674.177561 0.4355 BFGS: 77 15:44:42 -1674.279963 0.4291 BFGS: 78 15:44:42 -1674.381571 0.4228 BFGS: 79 15:44:43 -1674.482350 0.4165 BFGS: 80 15:44:43 -1674.582267 0.4102 BFGS: 81 15:44:43 -1674.681287 0.4040 BFGS: 82 15:44:44 -1674.779374 0.3978 BFGS: 83 15:44:44 -1674.876493 0.3916 BFGS: 84 15:44:45 -1674.972611 0.3854 BFGS: 85 15:44:45 -1675.067690 0.3793 BFGS: 86 15:44:46 -1675.161698 0.3732 BFGS: 87 15:44:46 -1675.254597 0.3672 BFGS: 88 15:44:47 -1675.346355 0.3612 BFGS: 89 15:44:47 -1675.436935 0.3552 BFGS: 90 15:44:48 -1675.526303 0.3493 BFGS: 91 15:44:48 -1675.614425 0.3434 BFGS: 92 15:44:49 -1675.701268 0.3376 BFGS: 93 15:44:49 -1675.786797 0.3318 BFGS: 94 15:44:50 -1675.870980 0.3261 BFGS: 95 15:44:50 -1675.953783 0.3204 BFGS: 96 15:44:51 -1676.035176 0.3147 BFGS: 97 15:44:51 -1676.115125 0.3091 BFGS: 98 15:44:51 -1676.193602 0.3036 BFGS: 99 15:44:52 -1676.270574 0.2981 BFGS: 100 15:44:52 -1676.346014 0.2927 BFGS: 101 15:44:53 -1676.419893 0.2873 BFGS: 102 15:44:53 -1676.492184 0.2820 BFGS: 103 15:44:53 -1676.562859 0.2768 BFGS: 104 15:44:54 -1676.631895 0.2716 BFGS: 105 15:44:54 -1676.699266 0.2665 BFGS: 106 15:44:55 -1676.764950 0.2614 BFGS: 107 15:44:55 -1676.828925 0.2564 BFGS: 108 15:44:55 -1676.891172 0.2515 BFGS: 109 15:44:56 -1676.951673 0.2467 BFGS: 110 15:44:56 -1677.010409 0.2419 BFGS: 111 15:44:57 -1677.067368 0.2372 BFGS: 112 15:44:57 -1677.122536 0.2326 BFGS: 113 15:44:58 -1677.175903 0.2280 BFGS: 114 15:44:58 -1677.227460 0.2236 BFGS: 115 15:44:59 -1677.275733 0.2217 BFGS: 116 15:45:00 -1677.328604 0.2196 BFGS: 117 15:45:00 -1677.379862 0.2167 BFGS: 118 15:45:01 -1677.429071 0.2137 BFGS: 119 15:45:01 -1677.476043 0.2106 BFGS: 120 15:45:02 -1677.520783 0.2074 BFGS: 121 15:45:03 -1677.563296 0.2043 BFGS: 122 15:45:03 -1677.603600 0.2011 BFGS: 123 15:45:04 -1677.641722 0.1979 BFGS: 124 15:45:04 -1677.677703 0.1948 BFGS: 125 15:45:05 -1677.711591 0.1916 BFGS: 126 15:45:05 -1677.743450 0.1885 BFGS: 127 15:45:06 -1677.773351 0.1854 BFGS: 128 15:45:06 -1677.801383 0.1823 BFGS: 129 15:45:07 -1677.827644 0.1793 BFGS: 130 15:45:07 -1677.852251 0.1762 BFGS: 131 15:45:08 -1677.875334 0.1732 BFGS: 132 15:45:08 -1677.897041 0.1702 BFGS: 133 15:45:09 -1677.917537 0.1672 BFGS: 134 15:45:09 -1677.937000 0.1643 BFGS: 135 15:45:10 -1677.955666 0.1618 BFGS: 136 15:45:10 -1677.974353 0.1598 BFGS: 137 15:45:11 -1677.993292 0.1579 BFGS: 138 15:45:11 -1678.012706 0.1563 BFGS: 139 15:45:11 -1678.032794 0.1550 BFGS: 140 15:45:12 -1678.053727 0.1539 BFGS: 141 15:45:12 -1678.075634 0.1530 BFGS: 142 15:45:13 -1678.098606 0.1524 BFGS: 143 15:45:13 -1678.122688 0.1519 BFGS: 144 15:45:14 -1678.147883 0.1517 BFGS: 145 15:45:14 -1678.174150 0.1517 BFGS: 146 15:45:15 -1678.201413 0.1518 BFGS: 147 15:45:15 -1678.229557 0.1520 BFGS: 148 15:45:16 -1678.258440 0.1524 BFGS: 149 15:45:16 -1678.287896 0.1528 BFGS: 150 15:45:17 -1678.317746 0.1534 BFGS: 151 15:45:17 -1678.347804 0.1539 BFGS: 152 15:45:18 -1678.377884 0.1545 BFGS: 153 15:45:18 -1678.407814 0.1550 BFGS: 154 15:45:19 -1678.437439 0.1554 BFGS: 155 15:45:19 -1678.466623 0.1558 BFGS: 156 15:45:20 -1678.495261 0.1561 BFGS: 157 15:45:20 -1678.523269 0.1563 BFGS: 158 15:45:21 -1678.550591 0.1564 BFGS: 159 15:45:21 -1678.577193 0.1564 BFGS: 160 15:45:22 -1678.603062 0.1562 BFGS: 161 15:45:22 -1678.628199 0.1559 BFGS: 162 15:45:23 -1678.652619 0.1555 BFGS: 163 15:45:23 -1678.676345 0.1549 BFGS: 164 15:45:24 -1678.699407 0.1542 BFGS: 165 15:45:24 -1678.721838 0.1534 BFGS: 166 15:45:24 -1678.743674 0.1525 BFGS: 167 15:45:25 -1678.764951 0.1515 BFGS: 168 15:45:25 -1678.785703 0.1504 BFGS: 169 15:45:26 -1678.805965 0.1492 BFGS: 170 15:45:26 -1678.825769 0.1479 BFGS: 171 15:45:27 -1678.845146 0.1465 BFGS: 172 15:45:27 -1678.864123 0.1450 BFGS: 173 15:45:28 -1678.882727 0.1435 BFGS: 174 15:45:28 -1678.900981 0.1419 BFGS: 175 15:45:29 -1678.918908 0.1402 BFGS: 176 15:45:29 -1678.936528 0.1385 BFGS: 177 15:45:29 -1678.953859 0.1367 BFGS: 178 15:45:30 -1678.970917 0.1349 BFGS: 179 15:45:30 -1678.987719 0.1330 BFGS: 180 15:45:31 -1679.004278 0.1311 BFGS: 181 15:45:31 -1679.020606 0.1291 BFGS: 182 15:45:32 -1679.036715 0.1271 BFGS: 183 15:45:32 -1679.052617 0.1250 BFGS: 184 15:45:33 -1679.068319 0.1229 BFGS: 185 15:45:33 -1679.083832 0.1208 BFGS: 186 15:45:34 -1679.099163 0.1186 BFGS: 187 15:45:34 -1679.114319 0.1164 BFGS: 188 15:45:35 -1679.129308 0.1142 BFGS: 189 15:45:35 -1679.144135 0.1120 BFGS: 190 15:45:36 -1679.158806 0.1097 BFGS: 191 15:45:36 -1679.173327 0.1074 BFGS: 192 15:45:37 -1679.187701 0.1050 BFGS: 193 15:45:37 -1679.201934 0.1027 BFGS: 194 15:45:37 -1679.216029 0.1003 BFGS: 195 15:45:38 -1679.229990 0.0979 BFGS: 196 15:45:38 -1679.243821 0.0974 BFGS: 197 15:45:39 -1679.257524 0.0982 BFGS: 198 15:45:39 -1679.271102 0.0990 BFGS: 199 15:45:40 -1679.284557 0.0996 BFGS: 200 15:45:40 -1679.297892 0.1001 BFGS: 201 15:45:41 -1679.311108 0.1006 BFGS: 202 15:45:41 -1679.324208 0.1010 BFGS: 203 15:45:42 -1679.337192 0.1012 BFGS: 204 15:45:42 -1679.350062 0.1014 BFGS: 205 15:45:43 -1679.362820 0.1015 BFGS: 206 15:45:43 -1679.375465 0.1015 BFGS: 207 15:45:44 -1679.387998 0.1014 BFGS: 208 15:45:44 -1679.400420 0.1012 BFGS: 209 15:45:45 -1679.412730 0.1009 BFGS: 210 15:45:45 -1679.424929 0.1005 BFGS: 211 15:45:45 -1679.437016 0.1001 BFGS: 212 15:45:46 -1679.448991 0.0995 BFGS: 213 15:45:46 -1679.460852 0.0989 BFGS: 214 15:45:47 -1679.472599 0.0982 BFGS: 215 15:45:47 -1679.484230 0.0973 BFGS: 216 15:45:48 -1679.495744 0.0964 BFGS: 217 15:45:48 -1679.507139 0.0954 BFGS: 218 15:45:49 -1679.518413 0.0942 BFGS: 219 15:45:49 -1679.529562 0.0930 BFGS: 220 15:45:50 -1679.540585 0.0917 BFGS: 221 15:45:50 -1679.551478 0.0902 BFGS: 222 15:45:51 -1679.562237 0.0887 BFGS: 223 15:45:51 -1679.572859 0.0870 BFGS: 224 15:45:52 -1679.583340 0.0852 BFGS: 225 15:45:52 -1679.593675 0.0833 BFGS: 226 15:45:53 -1679.603858 0.0812 BFGS: 227 15:45:53 -1679.613883 0.0790 BFGS: 228 15:45:54 -1679.623745 0.0767 BFGS: 229 15:45:54 -1679.633437 0.0742 BFGS: 230 15:45:55 -1679.642952 0.0715 BFGS: 231 15:45:55 -1679.652280 0.0686 BFGS: 232 15:45:56 -1679.661413 0.0655 BFGS: 233 15:45:56 -1679.670343 0.0622 BFGS: 234 15:45:57 -1679.679057 0.0587 BFGS: 235 15:45:57 -1679.687547 0.0549 BFGS: 236 15:45:58 -1679.695800 0.0517 BFGS: 237 15:45:58 -1679.703806 0.0508 BFGS: 238 15:45:59 -1679.711557 0.0497 BFGS: 239 15:45:59 -1679.719053 0.0480 BFGS: 240 15:46:00 -1679.726314 0.0455 BFGS: 241 15:46:00 -1679.733429 0.0415 BFGS: 242 15:46:01 -1679.740225 0.0339 BFGS: 243 15:46:01 -1679.744258 0.0290 BFGS: 244 15:46:02 -1679.749069 0.0261 BFGS: 245 15:46:02 -1679.752790 0.0231 BFGS: 246 15:46:03 -1679.755899 0.0200 BFGS: 247 15:46:03 -1679.758494 0.0170 BFGS: 248 15:46:04 -1679.760596 0.0138 BFGS: 249 15:46:04 -1679.762211 0.0125 BFGS: 250 15:46:04 -1679.763346 0.0114 BFGS: 251 15:46:05 -1679.764030 0.0099 BFGS: 252 15:46:05 -1679.764336 0.0087 BFGS: 253 15:46:06 -1679.764951 0.0075 BFGS: 254 15:46:06 -1679.765593 0.0089 BFGS: 255 15:46:06 -1679.765932 0.0086 BFGS: 256 15:46:07 -1679.766005 0.0079 BFGS: 257 15:46:07 -1679.766022 0.0077 BFGS: 258 15:46:08 -1679.766037 0.0076 BFGS: 259 15:46:08 -1679.766053 0.0077 BFGS: 260 15:46:08 -1679.766063 0.0080 BFGS: 261 15:46:08 -1679.766069 0.0082 BFGS: 262 15:46:09 -1679.766074 0.0084 BFGS: 263 15:46:09 -1679.766081 0.0086 BFGS: 264 15:46:10 -1679.766091 0.0086 BFGS: 265 15:46:11 -1679.766105 0.0086 BFGS: 266 15:46:11 -1679.766129 0.0084 BFGS: 267 15:46:12 -1679.766175 0.0081 BFGS: 268 15:46:12 -1679.766269 0.0077 BFGS: 269 15:46:12 -1679.766446 0.0072 BFGS: 270 15:46:13 -1679.766734 0.0074 BFGS: 271 15:46:13 -1679.767053 0.0093 BFGS: 272 15:46:13 -1679.767395 0.0111 BFGS: 273 15:46:14 -1679.767738 0.0121 BFGS: 274 15:46:14 -1679.768069 0.0123 BFGS: 275 15:46:15 -1679.768387 0.0122 BFGS: 276 15:46:15 -1679.768690 0.0116 BFGS: 277 15:46:15 -1679.768976 0.0109 BFGS: 278 15:46:16 -1679.769244 0.0099 BFGS: 279 15:46:16 -1679.769490 0.0087 BFGS: 280 15:46:16 -1679.769709 0.0074 BFGS: 281 15:46:17 -1679.769898 0.0068 BFGS: 282 15:46:17 -1679.770050 0.0059 BFGS: 283 15:46:18 -1679.770159 0.0044 BFGS: 284 15:46:18 -1679.770211 0.0025 BFGS: 285 15:46:19 -1679.770229 0.0017 BFGS: 286 15:46:19 -1679.770248 0.0008 BFGS: 287 15:46:20 -1679.770251 0.0006 BFGS: 288 15:46:21 -1679.770252 0.0004 BFGS: 289 15:46:21 -1679.770253 0.0002 BFGS: 290 15:46:21 -1679.770253 0.0001 BFGS: 291 15:46:22 -1679.770253 0.0001 BFGS: 292 15:46:23 -1679.770253 0.0000 BFGS: 293 15:46:23 -1679.770253 0.0000 BFGS: 294 15:46:24 -1679.770253 0.0000 BFGS: 295 15:46:24 -1679.770253 0.0000 BFGS: 296 15:46:25 -1679.770253 0.0000 BFGS: 297 15:46:25 -1679.770253 0.0000 BFGS: 298 15:46:26 -1679.770253 0.0000 BFGS: 299 15:46:26 -1679.770253 0.0000 BFGS: 300 15:46:27 -1679.770253 0.0000 BFGS: 301 15:46:27 -1679.770253 0.0000 BFGS: 302 15:46:27 -1679.770253 0.0000 BFGS: 303 15:46:28 -1679.770253 0.0000 BFGS: 304 15:46:28 -1679.770253 0.0000 BFGS: 305 15:46:29 -1679.770253 0.0000 BFGS: 306 15:46:30 -1679.770253 0.0000 BFGS: 307 15:46:30 -1679.770253 0.0000 BFGS: 308 15:46:31 -1679.770253 0.0000 BFGS: 309 15:46:32 -1679.770253 0.0000 BFGS: 310 15:46:32 -1679.770253 0.0000 BFGS: 311 15:46:33 -1679.770253 0.0000 BFGS: 312 15:46:33 -1679.770253 0.0000 Minimization converged after 312 steps. Maximum force component: 8.857188680020146e-09 eV/Angstrom Maximum stress component: 8.944465868328628e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B'] basis = [[4.32597078e-33 1.50698743e-32 0.00000000e+00] [6.66666667e-01 3.33333333e-01 3.33333333e-01] [3.33333333e-01 6.66666667e-01 6.66666667e-01] [1.30904368e-17 0.00000000e+00 1.18931201e-01] [0.00000000e+00 1.08265606e-17 8.81068799e-01] [6.66666667e-01 3.33333333e-01 4.52264534e-01] [6.66666667e-01 3.33333333e-01 2.14402132e-01] [3.33333333e-01 6.66666667e-01 7.85597868e-01] [3.33333333e-01 6.66666667e-01 5.47735466e-01] [5.38866168e-02 9.46113383e-01 4.41864513e-01] [5.38866168e-02 1.07773234e-01 4.41864513e-01] [8.92226766e-01 9.46113383e-01 4.41864513e-01] [9.46113383e-01 5.38866168e-02 5.58135487e-01] [1.07773234e-01 5.38866168e-02 5.58135487e-01] [9.46113383e-01 8.92226766e-01 5.58135487e-01] [7.20553284e-01 2.79446716e-01 7.75197846e-01] [7.20553284e-01 4.41106567e-01 7.75197846e-01] [5.58893433e-01 2.79446716e-01 7.75197846e-01] [6.12780050e-01 3.87219950e-01 8.91468820e-01] [7.74439900e-01 3.87219950e-01 8.91468820e-01] [6.12780050e-01 2.25560100e-01 8.91468820e-01] [3.87219950e-01 6.12780050e-01 1.08531180e-01] [3.87219950e-01 7.74439900e-01 1.08531180e-01] [2.25560100e-01 6.12780050e-01 1.08531180e-01] [2.79446716e-01 7.20553284e-01 2.24802154e-01] [4.41106567e-01 7.20553284e-01 2.24802154e-01] [2.79446716e-01 5.58893433e-01 2.24802154e-01] [9.16484487e-01 8.35155129e-02 4.86724210e-01] [9.16484487e-01 8.32968974e-01 4.86724210e-01] [1.67031026e-01 8.35155129e-02 4.86724210e-01] [8.35155129e-02 9.16484487e-01 5.13275790e-01] [8.32968974e-01 9.16484487e-01 5.13275790e-01] [8.35155129e-02 1.67031026e-01 5.13275790e-01] [5.83151154e-01 4.16848846e-01 8.20057543e-01] [5.83151154e-01 1.66302307e-01 8.20057543e-01] [8.33697693e-01 4.16848846e-01 8.20057543e-01] [7.50182180e-01 2.49817820e-01 8.46609123e-01] [4.99635641e-01 2.49817820e-01 8.46609123e-01] [7.50182180e-01 5.00364359e-01 8.46609123e-01] [2.49817820e-01 7.50182180e-01 1.53390877e-01] [2.49817820e-01 4.99635641e-01 1.53390877e-01] [5.00364359e-01 7.50182180e-01 1.53390877e-01] [4.16848846e-01 5.83151154e-01 1.79942457e-01] [1.66302307e-01 5.83151154e-01 1.79942457e-01] [4.16848846e-01 8.33697693e-01 1.79942457e-01] [8.83268838e-01 1.16731162e-01 6.12260483e-01] [8.83268838e-01 7.66537675e-01 6.12260483e-01] [2.33462325e-01 1.16731162e-01 6.12260483e-01] [1.16731162e-01 8.83268838e-01 3.87739517e-01] [7.66537675e-01 8.83268838e-01 3.87739517e-01] [1.16731162e-01 2.33462325e-01 3.87739517e-01] [5.49935504e-01 4.50064496e-01 9.45593816e-01] [5.49935504e-01 9.98710088e-02 9.45593816e-01] [9.00128991e-01 4.50064496e-01 9.45593816e-01] [7.83397829e-01 2.16602171e-01 7.21072850e-01] [4.33204342e-01 2.16602171e-01 7.21072850e-01] [7.83397829e-01 5.66795658e-01 7.21072850e-01] [2.16602171e-01 7.83397829e-01 2.78927150e-01] [2.16602171e-01 4.33204342e-01 2.78927150e-01] [5.66795658e-01 7.83397829e-01 2.78927150e-01] [4.50064496e-01 5.49935504e-01 5.44061836e-02] [9.98710088e-02 5.49935504e-01 5.44061836e-02] [4.50064496e-01 9.00128991e-01 5.44061836e-02] [1.23326091e-01 8.76673909e-01 2.72255297e-01] [1.23326091e-01 2.46652183e-01 2.72255297e-01] [7.53347817e-01 8.76673909e-01 2.72255297e-01] [8.76673909e-01 1.23326091e-01 7.27744703e-01] [2.46652183e-01 1.23326091e-01 7.27744703e-01] [8.76673909e-01 7.53347817e-01 7.27744703e-01] [7.89992758e-01 2.10007242e-01 6.05588630e-01] [7.89992758e-01 5.79985516e-01 6.05588630e-01] [4.20014484e-01 2.10007242e-01 6.05588630e-01] [5.43340575e-01 4.56659425e-01 6.10780366e-02] [9.13318849e-01 4.56659425e-01 6.10780366e-02] [5.43340575e-01 8.66811507e-02 6.10780366e-02] [4.56659425e-01 5.43340575e-01 9.38921963e-01] [4.56659425e-01 9.13318849e-01 9.38921963e-01] [8.66811507e-02 5.43340575e-01 9.38921963e-01] [2.10007242e-01 7.89992758e-01 3.94411370e-01] [5.79985516e-01 7.89992758e-01 3.94411370e-01] [2.10007242e-01 4.20014484e-01 3.94411370e-01] [8.29325590e-01 1.70674410e-01 4.71743238e-01] [8.29325590e-01 6.58651180e-01 4.71743238e-01] [3.41348820e-01 1.70674410e-01 4.71743238e-01] [1.70674410e-01 8.29325590e-01 5.28256762e-01] [6.58651180e-01 8.29325590e-01 5.28256762e-01] [1.70674410e-01 3.41348820e-01 5.28256762e-01] [4.95992256e-01 5.04007744e-01 8.05076572e-01] [4.95992256e-01 9.91984513e-01 8.05076572e-01] [8.01548710e-03 5.04007744e-01 8.05076572e-01] [8.37341077e-01 1.62658923e-01 8.61590095e-01] [3.25317846e-01 1.62658923e-01 8.61590095e-01] [8.37341077e-01 6.74682154e-01 8.61590095e-01] [1.62658923e-01 8.37341077e-01 1.38409905e-01] [1.62658923e-01 3.25317846e-01 1.38409905e-01] [6.74682154e-01 8.37341077e-01 1.38409905e-01] [5.04007744e-01 4.95992256e-01 1.94923428e-01] [9.91984513e-01 4.95992256e-01 1.94923428e-01] [5.04007744e-01 8.01548710e-03 1.94923428e-01] [7.72582198e-01 2.27417802e-01 5.31165278e-01] [7.72582198e-01 5.45164395e-01 5.31165278e-01] [4.54835605e-01 2.27417802e-01 5.31165278e-01] [2.27417802e-01 7.72582198e-01 4.68834722e-01] [5.45164395e-01 7.72582198e-01 4.68834722e-01] [2.27417802e-01 4.54835605e-01 4.68834722e-01] [4.39248864e-01 5.60751136e-01 8.64498611e-01] [4.39248864e-01 8.78497729e-01 8.64498611e-01] [1.21502271e-01 5.60751136e-01 8.64498611e-01] [8.94084469e-01 1.05915531e-01 8.02168056e-01] [2.11831062e-01 1.05915531e-01 8.02168056e-01] [8.94084469e-01 7.88168938e-01 8.02168056e-01] [1.05915531e-01 8.94084469e-01 1.97831944e-01] [1.05915531e-01 2.11831062e-01 1.97831944e-01] [7.88168938e-01 8.94084469e-01 1.97831944e-01] [5.60751136e-01 4.39248864e-01 1.35501389e-01] [8.78497729e-01 4.39248864e-01 1.35501389e-01] [5.60751136e-01 1.21502271e-01 1.35501389e-01] [7.23113267e-01 2.76886733e-01 3.92130961e-01] [7.23113267e-01 4.46226534e-01 3.92130961e-01] [5.53773466e-01 2.76886733e-01 3.92130961e-01] [2.76886733e-01 7.23113267e-01 6.07869039e-01] [4.46226534e-01 7.23113267e-01 6.07869039e-01] [2.76886733e-01 5.53773466e-01 6.07869039e-01] [3.89779934e-01 6.10220066e-01 7.25464294e-01] [3.89779934e-01 7.79559868e-01 7.25464294e-01] [2.20440132e-01 6.10220066e-01 7.25464294e-01] [9.43553400e-01 5.64466005e-02 9.41202372e-01] [1.12893201e-01 5.64466005e-02 9.41202372e-01] [9.43553400e-01 8.87106799e-01 9.41202372e-01] [5.64466005e-02 9.43553400e-01 5.87976276e-02] [5.64466005e-02 1.12893201e-01 5.87976276e-02] [8.87106799e-01 9.43553400e-01 5.87976276e-02] [6.10220066e-01 3.89779934e-01 2.74535706e-01] [7.79559868e-01 3.89779934e-01 2.74535706e-01] [6.10220066e-01 2.20440132e-01 2.74535706e-01] [9.07380095e-01 9.26199046e-02 1.02614977e-01] [9.07380095e-01 8.14760191e-01 1.02614977e-01] [1.85239809e-01 9.26199046e-02 1.02614977e-01] [9.26199046e-02 9.07380095e-01 8.97385023e-01] [8.14760191e-01 9.07380095e-01 8.97385023e-01] [9.26199046e-02 1.85239809e-01 8.97385023e-01] [5.74046762e-01 4.25953238e-01 4.35948311e-01] [5.74046762e-01 1.48093524e-01 4.35948311e-01] [8.51906476e-01 4.25953238e-01 4.35948311e-01] [7.59286571e-01 2.40713429e-01 2.30718356e-01] [4.81426857e-01 2.40713429e-01 2.30718356e-01] [7.59286571e-01 5.18573143e-01 2.30718356e-01] [2.40713429e-01 7.59286571e-01 7.69281644e-01] [2.40713429e-01 4.81426857e-01 7.69281644e-01] [5.18573143e-01 7.59286571e-01 7.69281644e-01] [4.25953238e-01 5.74046762e-01 5.64051689e-01] [1.48093524e-01 5.74046762e-01 5.64051689e-01] [4.25953238e-01 8.51906476e-01 5.64051689e-01] [9.42109174e-01 5.78908255e-02 1.77602732e-01] [9.42109174e-01 8.84218349e-01 1.77602732e-01] [1.15781651e-01 5.78908255e-02 1.77602732e-01] [5.78908255e-02 9.42109174e-01 8.22397268e-01] [8.84218349e-01 9.42109174e-01 8.22397268e-01] [5.78908255e-02 1.15781651e-01 8.22397268e-01] [6.08775841e-01 3.91224159e-01 5.10936066e-01] [6.08775841e-01 2.17551682e-01 5.10936066e-01] [7.82448318e-01 3.91224159e-01 5.10936066e-01] [7.24557492e-01 2.75442508e-01 1.55730601e-01] [5.50885016e-01 2.75442508e-01 1.55730601e-01] [7.24557492e-01 4.49114984e-01 1.55730601e-01] [2.75442508e-01 7.24557492e-01 8.44269399e-01] [2.75442508e-01 5.50885016e-01 8.44269399e-01] [4.49114984e-01 7.24557492e-01 8.44269399e-01] [3.91224159e-01 6.08775841e-01 4.89063934e-01] [2.17551682e-01 6.08775841e-01 4.89063934e-01] [3.91224159e-01 7.82448318e-01 4.89063934e-01] [1.38030919e-03 1.72926998e-01 3.29170266e-01] [8.27073002e-01 8.28453312e-01 3.29170266e-01] [1.71546688e-01 9.98619691e-01 3.29170266e-01] [1.72926998e-01 1.38030919e-03 6.70829734e-01] [8.28453312e-01 8.27073002e-01 6.70829734e-01] [9.98619691e-01 1.71546688e-01 6.70829734e-01] [6.68046976e-01 5.06260331e-01 6.62503599e-01] [4.93739669e-01 1.61786645e-01 6.62503599e-01] [8.38213355e-01 3.31953024e-01 6.62503599e-01] [8.39593664e-01 3.34713643e-01 4.16306734e-03] [4.95119978e-01 1.60406336e-01 4.16306734e-03] [6.65286357e-01 5.04880022e-01 4.16306734e-03] [3.34713643e-01 8.39593664e-01 9.95836933e-01] [1.60406336e-01 4.95119978e-01 9.95836933e-01] [5.04880022e-01 6.65286357e-01 9.95836933e-01] [5.06260331e-01 6.68046976e-01 3.37496401e-01] [1.61786645e-01 4.93739669e-01 3.37496401e-01] [3.31953024e-01 8.38213355e-01 3.37496401e-01] [9.98619691e-01 8.27073002e-01 6.70829734e-01] [1.72926998e-01 1.71546688e-01 6.70829734e-01] [8.28453312e-01 1.38030919e-03 6.70829734e-01] [8.27073002e-01 9.98619691e-01 3.29170266e-01] [1.71546688e-01 1.72926998e-01 3.29170266e-01] [1.38030919e-03 8.28453312e-01 3.29170266e-01] [6.65286357e-01 1.60406336e-01 4.16306734e-03] [8.39593664e-01 5.04880022e-01 4.16306734e-03] [4.95119978e-01 3.34713643e-01 4.16306734e-03] [4.93739669e-01 3.31953024e-01 6.62503599e-01] [8.38213355e-01 5.06260331e-01 6.62503599e-01] [6.68046976e-01 1.61786645e-01 6.62503599e-01] [3.31953024e-01 4.93739669e-01 3.37496401e-01] [5.06260331e-01 8.38213355e-01 3.37496401e-01] [1.61786645e-01 6.68046976e-01 3.37496401e-01] [1.60406336e-01 6.65286357e-01 9.95836933e-01] [5.04880022e-01 8.39593664e-01 9.95836933e-01] [3.34713643e-01 4.95119978e-01 9.95836933e-01] [7.03820091e-01 6.71547776e-01 6.30033024e-01] [3.28452224e-01 3.22723157e-02 6.30033024e-01] [9.67727684e-01 2.96179909e-01 6.30033024e-01] [6.71547776e-01 7.03820091e-01 3.69966976e-01] [3.22723157e-02 3.28452224e-01 3.69966976e-01] [2.96179909e-01 9.67727684e-01 3.69966976e-01] [3.70486758e-01 4.88110901e-03 9.63366358e-01] [9.95118891e-01 3.65605649e-01 9.63366358e-01] 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[3.70486758e-01 3.65605649e-01 9.63366358e-01] [6.29513242e-01 9.95118891e-01 3.66336424e-02] [4.88110901e-03 6.34394351e-01 3.66336424e-02] [3.65605649e-01 3.70486758e-01 3.66336424e-02] [6.61785558e-01 9.62846575e-01 2.96699691e-01] [3.01061018e-01 3.38214442e-01 2.96699691e-01] [3.71534247e-02 6.98938982e-01 2.96699691e-01] [7.15151146e-01 5.97846089e-01 4.14250618e-01] [4.02153911e-01 1.17305057e-01 4.14250618e-01] [8.82694943e-01 2.84848854e-01 4.14250618e-01] [5.97846089e-01 7.15151146e-01 5.85749382e-01] [1.17305057e-01 4.02153911e-01 5.85749382e-01] [2.84848854e-01 8.82694943e-01 5.85749382e-01] [3.81817813e-01 9.31179423e-01 7.47583952e-01] [6.88205774e-02 4.50638390e-01 7.47583952e-01] [5.49361610e-01 6.18182187e-01 7.47583952e-01] [2.64512756e-01 4.84844793e-02 9.19082715e-01] [7.83971723e-01 7.35487244e-01 9.19082715e-01] [9.51515521e-01 2.16028277e-01 9.19082715e-01] [4.84844793e-02 2.64512756e-01 8.09172851e-02] [7.35487244e-01 7.83971723e-01 8.09172851e-02] 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[4.84844793e-02 7.83971723e-01 8.09172851e-02] [6.52997851e-01 5.66418296e-01 4.86396341e-01] [4.33581704e-01 8.65795548e-02 4.86396341e-01] [9.13420445e-01 3.47002149e-01 4.86396341e-01] [5.66418296e-01 6.52997851e-01 5.13603659e-01] [8.65795548e-02 4.33581704e-01 5.13603659e-01] [3.47002149e-01 9.13420445e-01 5.13603659e-01] [3.19664517e-01 8.99751629e-01 8.19729674e-01] [1.00248371e-01 4.19912888e-01 8.19729674e-01] [5.80087112e-01 6.80335483e-01 8.19729674e-01] [2.33084963e-01 9.86331184e-01 8.46936993e-01] [7.53246222e-01 7.66915037e-01 8.46936993e-01] [1.36688160e-02 2.46753778e-01 8.46936993e-01] [9.86331184e-01 2.33084963e-01 1.53063007e-01] [7.66915037e-01 7.53246222e-01 1.53063007e-01] [2.46753778e-01 1.36688160e-02 1.53063007e-01] [8.99751629e-01 3.19664517e-01 1.80270326e-01] [4.19912888e-01 1.00248371e-01 1.80270326e-01] [6.80335483e-01 5.80087112e-01 1.80270326e-01] [3.47002149e-01 4.33581704e-01 5.13603659e-01] [5.66418296e-01 9.13420445e-01 5.13603659e-01] [8.65795548e-02 6.52997851e-01 5.13603659e-01] [4.33581704e-01 3.47002149e-01 4.86396341e-01] [9.13420445e-01 5.66418296e-01 4.86396341e-01] [6.52997851e-01 8.65795548e-02 4.86396341e-01] [1.36688160e-02 7.66915037e-01 8.46936993e-01] [2.33084963e-01 2.46753778e-01 8.46936993e-01] [7.53246222e-01 9.86331184e-01 8.46936993e-01] [1.00248371e-01 6.80335483e-01 8.19729674e-01] [5.80087112e-01 8.99751629e-01 8.19729674e-01] [3.19664517e-01 4.19912888e-01 8.19729674e-01] [6.80335483e-01 1.00248371e-01 1.80270326e-01] [8.99751629e-01 5.80087112e-01 1.80270326e-01] [4.19912888e-01 3.19664517e-01 1.80270326e-01] [7.66915037e-01 1.36688160e-02 1.53063007e-01] [2.46753778e-01 2.33084963e-01 1.53063007e-01] [9.86331184e-01 7.53246222e-01 1.53063007e-01]] cellpar = Cell([[11.305307784564233, 8.585422189421286e-18, 2.6553359182740204e-17], [-5.652653892282117, 9.790683739034604, 4.060114550624004e-17], [5.778350898886985e-17, 1.0554840220644522e-15, 24.505166385071572]]) forces = [[ 1.23865491e-31 1.07270662e-31 -8.05465322e-31] [ 1.85798236e-31 -1.07270662e-31 1.07395376e-30] [-1.26619864e-48 -2.31286134e-47 -5.36976882e-31] [-9.41990130e-27 -1.72074670e-25 -3.99505662e-09] [ 9.41990130e-27 1.72075099e-25 3.99505662e-09] [-9.41952970e-27 -1.72074885e-25 -3.99505662e-09] [ 9.42052063e-27 1.72074456e-25 3.99505662e-09] [-9.42014903e-27 -1.72074670e-25 -3.99505662e-09] [ 9.42039676e-27 1.72074670e-25 3.99505662e-09] [-6.16278940e-10 3.55808812e-10 3.42494963e-09] [ 1.90228269e-26 -7.11617624e-10 3.42494963e-09] [ 6.16278940e-10 3.55808812e-10 3.42494963e-09] [ 6.16278940e-10 -3.55808812e-10 -3.42494963e-09] [-6.16278940e-10 -3.55808812e-10 -3.42494963e-09] [ 8.43747496e-26 7.11617624e-10 -3.42494963e-09] [-6.16278940e-10 3.55808812e-10 3.42494963e-09] [-1.13159104e-26 -7.11617624e-10 3.42494963e-09] [ 6.16278940e-10 3.55808812e-10 3.42494963e-09] [ 6.16278940e-10 -3.55808812e-10 -3.42494963e-09] [-6.16278940e-10 -3.55808812e-10 -3.42494963e-09] [ 8.43747496e-26 7.11617624e-10 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2.67409848e-09 1.54389148e-09 3.97601527e-09] [ 2.67409848e-09 -1.54389148e-09 -3.97601527e-09] [-2.67409848e-09 -1.54389148e-09 -3.97601527e-09] [ 4.83854382e-25 3.08778296e-09 -3.97601527e-09] [ 3.27335177e-09 -1.88987053e-09 8.85718868e-09] [ 4.62205226e-25 3.77974105e-09 8.85718868e-09] [-3.27335177e-09 -1.88987053e-09 8.85718868e-09] [-3.27335177e-09 1.88987053e-09 -8.85718868e-09] [ 3.27335177e-09 1.88987053e-09 -8.85718868e-09] [ 2.43620437e-25 -3.77974105e-09 -8.85718868e-09] [ 3.27335177e-09 -1.88987053e-09 8.85718868e-09] [ 4.86149202e-26 3.77974105e-09 8.85718868e-09] [-3.27335177e-09 -1.88987053e-09 8.85718868e-09] [-3.27335177e-09 1.88987053e-09 -8.85718868e-09] [ 3.27335177e-09 1.88987053e-09 -8.85718868e-09] [ 3.64975386e-25 -3.77974105e-09 -8.85718868e-09] [ 3.27335177e-09 -1.88987053e-09 8.85718868e-09] [-2.43620437e-25 3.77974105e-09 8.85718868e-09] [-3.27335177e-09 -1.88987053e-09 8.85718868e-09] [-3.27335177e-09 1.88987053e-09 -8.85718868e-09] [ 3.27335177e-09 1.88987053e-09 -8.85718868e-09] [-4.62205226e-25 -3.77974105e-09 -8.85718868e-09] [-1.05805512e-09 6.10868407e-10 3.75450936e-10] [-3.14366640e-25 -1.22173681e-09 3.75450936e-10] [ 1.05805512e-09 6.10868407e-10 3.75450936e-10] [ 1.05805512e-09 -6.10868407e-10 -3.75450936e-10] [-1.05805512e-09 -6.10868407e-10 -3.75450936e-10] [ 2.21312834e-26 1.22173681e-09 -3.75450936e-10] [-1.05805512e-09 6.10868407e-10 3.75450936e-10] [-2.21312834e-26 -1.22173681e-09 3.75450936e-10] [ 1.05805512e-09 6.10868407e-10 3.75450936e-10] [ 1.05805512e-09 -6.10868407e-10 -3.75450936e-10] [-1.05805512e-09 -6.10868407e-10 -3.75450936e-10] [ 2.21312834e-26 1.22173681e-09 -3.75450936e-10] [-1.05805512e-09 6.10868407e-10 3.75450936e-10] [-2.21312834e-26 -1.22173681e-09 3.75450936e-10] [ 1.05805512e-09 6.10868407e-10 3.75450936e-10] [ 1.05805512e-09 -6.10868407e-10 -3.75450936e-10] [-1.05805512e-09 -6.10868407e-10 -3.75450936e-10] [ 2.21312834e-26 1.22173681e-09 -3.75450936e-10] [-4.89098776e-10 2.82381310e-10 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5.15645641e-09 -2.97708150e-09 1.09805479e-09] [-5.15645641e-09 -2.97708150e-09 1.09805479e-09] [ 1.61006135e-25 5.95416299e-09 1.09805479e-09] [-5.15645641e-09 2.97708150e-09 -1.09805479e-09] [-1.61006135e-25 -5.95416299e-09 -1.09805479e-09] [ 5.15645641e-09 2.97708150e-09 -1.09805479e-09] [ 5.15645641e-09 -2.97708150e-09 1.09805479e-09] [-5.15645641e-09 -2.97708150e-09 1.09805479e-09] [ 1.61006135e-25 5.95416299e-09 1.09805479e-09] [-5.15645641e-09 2.97708150e-09 -1.09805479e-09] [-5.02766950e-25 -5.95416299e-09 -1.09805479e-09] [ 5.15645641e-09 2.97708150e-09 -1.09805479e-09] [ 5.15645641e-09 -2.97708150e-09 1.09805479e-09] [-5.15645641e-09 -2.97708150e-09 1.09805479e-09] [-1.07976478e-24 5.95416299e-09 1.09805479e-09] [ 3.61040841e-09 -2.08447027e-09 -3.99248043e-10] [-2.06993610e-25 4.16894053e-09 -3.99248043e-10] [-3.61040841e-09 -2.08447027e-09 -3.99248043e-10] [-3.61040841e-09 2.08447027e-09 3.99248043e-10] [ 3.61040841e-09 2.08447027e-09 3.99248043e-10] [ 7.41938866e-25 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2.98885473e-09] [-1.87632051e-11 -1.08329415e-11 2.98885473e-09] [-1.87632051e-11 1.08329415e-11 -2.98885473e-09] [ 1.87632051e-11 1.08329415e-11 -2.98885473e-09] [-1.33599908e-26 -2.16658830e-11 -2.98885473e-09] [ 1.87632051e-11 -1.08329415e-11 2.98885473e-09] [ 6.89764231e-27 2.16658830e-11 2.98885473e-09] [-1.87632051e-11 -1.08329415e-11 2.98885473e-09] [-1.87632051e-11 1.08329415e-11 -2.98885473e-09] [ 1.87632051e-11 1.08329415e-11 -2.98885473e-09] [-1.01288166e-26 -2.16658830e-11 -2.98885473e-09] [ 5.47348937e-09 -3.16012056e-09 1.20338160e-09] [-1.08641276e-24 6.32024112e-09 1.20338160e-09] [-5.47348937e-09 -3.16012056e-09 1.20338160e-09] [-5.47348937e-09 3.16012056e-09 -1.20338160e-09] [ 5.47348937e-09 3.16012056e-09 -1.20338160e-09] [ 6.72822455e-25 -6.32024112e-09 -1.20338160e-09] [ 5.47348937e-09 -3.16012056e-09 1.20338160e-09] [-1.25729317e-24 6.32024112e-09 1.20338160e-09] [-5.47348937e-09 -3.16012056e-09 1.20338160e-09] [-5.47348937e-09 3.16012056e-09 -1.20338160e-09] [ 5.47348937e-09 3.16012056e-09 -1.20338160e-09] [ 1.67088347e-24 -6.32024112e-09 -1.20338160e-09] [ 5.47348937e-09 -3.16012056e-09 1.20338160e-09] [-6.72822455e-25 6.32024112e-09 1.20338160e-09] [-5.47348937e-09 -3.16012056e-09 1.20338160e-09] [-5.47348937e-09 3.16012056e-09 -1.20338160e-09] [ 5.47348937e-09 3.16012056e-09 -1.20338160e-09] [ 6.72822455e-25 -6.32024112e-09 -1.20338160e-09] [-1.76710501e-09 -2.38057510e-09 3.22703527e-09] [ 2.94519102e-09 -3.40070279e-10 3.22703527e-09] [-1.17808601e-09 2.72064538e-09 3.22703527e-09] [-1.17808601e-09 -2.72064538e-09 -3.22703527e-09] [-1.76710501e-09 2.38057510e-09 -3.22703527e-09] [ 2.94519102e-09 3.40070279e-10 -3.22703527e-09] [-1.76710501e-09 -2.38057510e-09 3.22703527e-09] [ 2.94519102e-09 -3.40070279e-10 3.22703527e-09] [-1.17808601e-09 2.72064538e-09 3.22703527e-09] [-1.17808601e-09 -2.72064538e-09 -3.22703527e-09] [-1.76710501e-09 2.38057510e-09 -3.22703527e-09] [ 2.94519102e-09 3.40070279e-10 -3.22703527e-09] [-1.76710501e-09 -2.38057510e-09 3.22703527e-09] [ 2.94519102e-09 -3.40070279e-10 3.22703527e-09] [-1.17808601e-09 2.72064538e-09 3.22703527e-09] [-1.17808601e-09 -2.72064538e-09 -3.22703527e-09] [-1.76710501e-09 2.38057510e-09 -3.22703527e-09] [ 2.94519102e-09 3.40070279e-10 -3.22703527e-09] [ 1.76710501e-09 2.38057510e-09 -3.22703527e-09] [-2.94519102e-09 3.40070279e-10 -3.22703527e-09] [ 1.17808601e-09 -2.72064538e-09 -3.22703527e-09] [ 1.17808601e-09 2.72064538e-09 3.22703527e-09] [ 1.76710501e-09 -2.38057510e-09 3.22703527e-09] [-2.94519102e-09 -3.40070279e-10 3.22703527e-09] [ 1.76710501e-09 2.38057510e-09 -3.22703527e-09] [-2.94519102e-09 3.40070279e-10 -3.22703527e-09] [ 1.17808601e-09 -2.72064538e-09 -3.22703527e-09] [ 1.17808601e-09 2.72064538e-09 3.22703527e-09] [ 1.76710501e-09 -2.38057510e-09 3.22703527e-09] [-2.94519102e-09 -3.40070279e-10 3.22703527e-09] [ 1.76710501e-09 2.38057510e-09 -3.22703527e-09] [-2.94519102e-09 3.40070279e-10 -3.22703527e-09] [ 1.17808601e-09 -2.72064538e-09 -3.22703527e-09] [ 1.17808601e-09 2.72064538e-09 3.22703527e-09] [ 1.76710501e-09 -2.38057510e-09 3.22703527e-09] [-2.94519102e-09 -3.40070279e-10 3.22703527e-09] [-2.01047933e-09 -1.61960596e-09 -3.22653028e-10] [ 2.40785957e-09 -9.31323193e-10 -3.22653028e-10] [-3.97380241e-10 2.55092915e-09 -3.22653028e-10] [-3.97380241e-10 -2.55092915e-09 3.22653028e-10] [-2.01047933e-09 1.61960596e-09 3.22653028e-10] [ 2.40785957e-09 9.31323193e-10 3.22653028e-10] [-2.01047933e-09 -1.61960596e-09 -3.22653028e-10] [ 2.40785957e-09 -9.31323193e-10 -3.22653028e-10] [-3.97380241e-10 2.55092915e-09 -3.22653028e-10] [-3.97380241e-10 -2.55092915e-09 3.22653028e-10] [-2.01047933e-09 1.61960596e-09 3.22653028e-10] [ 2.40785957e-09 9.31323193e-10 3.22653028e-10] [-2.01047933e-09 -1.61960596e-09 -3.22653028e-10] [ 2.40785957e-09 -9.31323193e-10 -3.22653028e-10] [-3.97380241e-10 2.55092915e-09 -3.22653028e-10] [-3.97380241e-10 -2.55092915e-09 3.22653028e-10] [-2.01047933e-09 1.61960596e-09 3.22653028e-10] [ 2.40785957e-09 9.31323193e-10 3.22653028e-10] [ 2.01047933e-09 1.61960596e-09 3.22653028e-10] [-2.40785957e-09 9.31323193e-10 3.22653028e-10] [ 3.97380241e-10 -2.55092915e-09 3.22653028e-10] [ 3.97380241e-10 2.55092915e-09 -3.22653028e-10] [ 2.01047933e-09 -1.61960596e-09 -3.22653028e-10] [-2.40785957e-09 -9.31323193e-10 -3.22653028e-10] [ 2.01047933e-09 1.61960596e-09 3.22653028e-10] [-2.40785957e-09 9.31323193e-10 3.22653028e-10] [ 3.97380241e-10 -2.55092915e-09 3.22653028e-10] [ 3.97380241e-10 2.55092915e-09 -3.22653028e-10] [ 2.01047933e-09 -1.61960596e-09 -3.22653028e-10] [-2.40785957e-09 -9.31323193e-10 -3.22653028e-10] [ 2.01047933e-09 1.61960596e-09 3.22653028e-10] [-2.40785957e-09 9.31323193e-10 3.22653028e-10] [ 3.97380241e-10 -2.55092915e-09 3.22653028e-10] [ 3.97380241e-10 2.55092915e-09 -3.22653028e-10] [ 2.01047933e-09 -1.61960596e-09 -3.22653028e-10] [-2.40785957e-09 -9.31323193e-10 -3.22653028e-10] [-3.62072907e-10 4.72662262e-09 -3.47513904e-09] [-3.91233881e-09 -2.67687565e-09 -3.47513904e-09] [ 4.27441172e-09 -2.04974697e-09 -3.47513904e-09] [ 4.27441172e-09 2.04974697e-09 3.47513904e-09] [-3.62072907e-10 -4.72662262e-09 3.47513904e-09] [-3.91233881e-09 2.67687565e-09 3.47513904e-09] [-3.62072907e-10 4.72662262e-09 -3.47513904e-09] [-3.91233881e-09 -2.67687565e-09 -3.47513904e-09] [ 4.27441172e-09 -2.04974697e-09 -3.47513904e-09] [ 4.27441172e-09 2.04974697e-09 3.47513904e-09] [-3.62072907e-10 -4.72662262e-09 3.47513904e-09] [-3.91233881e-09 2.67687565e-09 3.47513904e-09] [-3.62072907e-10 4.72662262e-09 -3.47513904e-09] [-3.91233881e-09 -2.67687565e-09 -3.47513904e-09] [ 4.27441172e-09 -2.04974697e-09 -3.47513904e-09] [ 4.27441172e-09 2.04974697e-09 3.47513904e-09] [-3.62072907e-10 -4.72662262e-09 3.47513904e-09] [-3.91233881e-09 2.67687565e-09 3.47513904e-09] [ 3.62072907e-10 -4.72662262e-09 3.47513904e-09] [ 3.91233881e-09 2.67687565e-09 3.47513904e-09] [-4.27441172e-09 2.04974697e-09 3.47513904e-09] [-4.27441172e-09 -2.04974697e-09 -3.47513904e-09] [ 3.62072907e-10 4.72662262e-09 -3.47513904e-09] [ 3.91233881e-09 -2.67687565e-09 -3.47513904e-09] [ 3.62072907e-10 -4.72662262e-09 3.47513904e-09] [ 3.91233881e-09 2.67687565e-09 3.47513904e-09] [-4.27441172e-09 2.04974697e-09 3.47513904e-09] [-4.27441172e-09 -2.04974697e-09 -3.47513904e-09] [ 3.62072907e-10 4.72662262e-09 -3.47513904e-09] [ 3.91233881e-09 -2.67687565e-09 -3.47513904e-09] [ 3.62072907e-10 -4.72662262e-09 3.47513904e-09] [ 3.91233881e-09 2.67687565e-09 3.47513904e-09] [-4.27441172e-09 2.04974697e-09 3.47513904e-09] [-4.27441172e-09 -2.04974697e-09 -3.47513904e-09] [ 3.62072907e-10 4.72662262e-09 -3.47513904e-09] [ 3.91233881e-09 -2.67687565e-09 -3.47513904e-09] [-5.09409321e-10 -1.37286212e-10 9.75823357e-10] [ 3.73598007e-10 -3.72518308e-10 9.75823357e-10] [ 1.35811314e-10 5.09804519e-10 9.75823357e-10] [ 1.35811314e-10 -5.09804519e-10 -9.75823357e-10] [-5.09409321e-10 1.37286212e-10 -9.75823357e-10] [ 3.73598007e-10 3.72518308e-10 -9.75823357e-10] [-5.09409321e-10 -1.37286212e-10 9.75823357e-10] [ 3.73598007e-10 -3.72518308e-10 9.75823357e-10] [ 1.35811314e-10 5.09804519e-10 9.75823357e-10] [ 1.35811314e-10 -5.09804519e-10 -9.75823357e-10] [-5.09409321e-10 1.37286212e-10 -9.75823357e-10] [ 3.73598007e-10 3.72518308e-10 -9.75823357e-10] [-5.09409321e-10 -1.37286212e-10 9.75823357e-10] [ 3.73598007e-10 -3.72518308e-10 9.75823357e-10] [ 1.35811314e-10 5.09804519e-10 9.75823357e-10] [ 1.35811314e-10 -5.09804519e-10 -9.75823357e-10] [-5.09409321e-10 1.37286212e-10 -9.75823357e-10] [ 3.73598007e-10 3.72518308e-10 -9.75823357e-10] [ 5.09409321e-10 1.37286212e-10 -9.75823357e-10] [-3.73598007e-10 3.72518308e-10 -9.75823357e-10] [-1.35811314e-10 -5.09804519e-10 -9.75823357e-10] [-1.35811314e-10 5.09804519e-10 9.75823357e-10] [ 5.09409321e-10 -1.37286212e-10 9.75823357e-10] [-3.73598007e-10 -3.72518308e-10 9.75823357e-10] [ 5.09409321e-10 1.37286212e-10 -9.75823357e-10] [-3.73598007e-10 3.72518308e-10 -9.75823357e-10] [-1.35811314e-10 -5.09804519e-10 -9.75823357e-10] [-1.35811314e-10 5.09804519e-10 9.75823357e-10] [ 5.09409321e-10 -1.37286212e-10 9.75823357e-10] [-3.73598007e-10 -3.72518308e-10 9.75823357e-10] [ 5.09409321e-10 1.37286212e-10 -9.75823357e-10] [-3.73598007e-10 3.72518308e-10 -9.75823357e-10] [-1.35811314e-10 -5.09804519e-10 -9.75823357e-10] [-1.35811314e-10 5.09804519e-10 9.75823357e-10] [ 5.09409321e-10 -1.37286212e-10 9.75823357e-10] [-3.73598007e-10 -3.72518308e-10 9.75823357e-10]] stress = [3.87147515e-11 3.87147515e-11 8.94446587e-11 1.26603167e-26 4.83244022e-27 2.39264984e-27] energy per atom = -5.33260397880539 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0