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: Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001 ==== 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 10:54:53 -298.136038 31.471369 BFGS: 1 10:55:06 -371.470141 17.003579 BFGS: 2 10:55:13 -411.466959 16.268812 BFGS: 3 10:55:14 -432.879130 15.945620 BFGS: 4 10:55:16 -450.228153 15.341070 BFGS: 5 10:55:18 -466.475220 14.758543 BFGS: 6 10:55:21 -481.576384 14.882601 BFGS: 7 10:55:27 -493.914475 14.996956 BFGS: 8 10:55:29 -508.838436 15.663329 BFGS: 9 10:55:39 -519.044099 17.009000 BFGS: 10 10:55:50 -528.202952 19.139774 BFGS: 11 10:55:54 -536.652287 21.222756 BFGS: 12 10:56:00 -544.833848 22.894457 BFGS: 13 10:56:04 -552.247722 24.058145 BFGS: 14 10:56:06 -559.481176 25.083691 BFGS: 15 10:56:16 -567.006779 26.139708 BFGS: 16 10:56:22 -575.933737 27.541329 BFGS: 17 10:56:35 -585.345662 28.750394 BFGS: 18 10:56:41 -594.325308 29.407519 BFGS: 19 10:56:50 -602.772805 29.457809 BFGS: 20 10:56:56 -609.733287 29.158588 BFGS: 21 10:56:57 -617.388092 28.176743 BFGS: 22 10:57:02 -623.467214 27.445188 BFGS: 23 10:57:03 -629.289955 26.499946 BFGS: 24 10:57:06 -634.116613 25.987247 BFGS: 25 10:57:12 -638.718356 25.338038 BFGS: 26 10:57:22 -642.885463 25.000086 BFGS: 27 10:57:28 -646.719980 24.693143 BFGS: 28 10:57:35 -650.413549 24.468556 BFGS: 29 10:57:38 -653.980651 24.216133 BFGS: 30 10:57:41 -657.356489 24.128249 BFGS: 31 10:57:42 -660.815719 23.948849 BFGS: 32 10:57:43 -664.155632 23.918661 BFGS: 33 10:57:46 -667.540440 23.849438 BFGS: 34 10:57:48 -670.994700 23.657582 BFGS: 35 10:57:50 -674.202739 23.492257 BFGS: 36 10:57:57 -677.476044 23.135426 BFGS: 37 10:58:03 -680.487610 22.880939 BFGS: 38 10:58:11 -683.472027 22.554283 BFGS: 39 10:58:16 -686.323978 22.255395 BFGS: 40 10:58:18 -689.090884 21.975890 BFGS: 41 10:58:22 -691.792960 21.678627 BFGS: 42 10:58:24 -694.409805 21.413426 BFGS: 43 10:58:25 -696.975198 21.143884 BFGS: 44 10:58:27 -699.490391 20.889125 BFGS: 45 10:58:28 -701.973247 20.643233 BFGS: 46 10:58:30 -704.447736 20.393105 BFGS: 47 10:58:31 -706.918803 20.157580 BFGS: 48 10:58:32 -709.413159 19.928921 BFGS: 49 10:58:34 -711.941929 19.708335 BFGS: 50 10:58:37 -714.560912 19.492892 BFGS: 51 10:58:38 -717.334896 19.266969 BFGS: 52 10:58:40 -720.388442 18.933458 BFGS: 53 10:58:41 -723.087445 18.688510 BFGS: 54 10:58:46 -725.840197 18.494129 BFGS: 55 10:58:47 -728.802907 18.392629 BFGS: 56 10:58:50 -731.115519 18.009805 BFGS: 57 10:58:52 -733.546856 17.684667 BFGS: 58 10:58:54 -736.024413 17.385530 BFGS: 59 10:58:55 -738.477506 17.100443 BFGS: 60 10:58:57 -740.992190 16.846044 BFGS: 61 10:58:59 -743.551931 16.592827 BFGS: 62 10:59:00 -746.090820 16.331176 BFGS: 63 10:59:02 -748.600661 16.023094 BFGS: 64 10:59:03 -751.130549 15.628352 BFGS: 65 10:59:04 -753.625973 15.294075 BFGS: 66 10:59:04 -756.060676 14.992789 BFGS: 67 10:59:05 -758.450333 14.710120 BFGS: 68 10:59:06 -760.818373 14.520956 BFGS: 69 10:59:10 -763.179734 14.373104 BFGS: 70 10:59:12 -765.661765 14.190488 BFGS: 71 10:59:13 -768.443035 14.041315 BFGS: 72 10:59:19 -771.531322 13.894854 BFGS: 73 10:59:23 -774.789552 13.772849 BFGS: 74 10:59:24 -777.688795 13.682095 BFGS: 75 10:59:26 -780.322886 13.645051 BFGS: 76 10:59:27 -782.818373 13.597079 BFGS: 77 10:59:28 -785.189249 13.555371 BFGS: 78 10:59:30 -787.483023 13.517130 BFGS: 79 10:59:31 -789.723891 13.480128 BFGS: 80 10:59:32 -791.916891 13.443372 BFGS: 81 10:59:33 -794.066544 13.407815 BFGS: 82 10:59:34 -796.172470 13.372798 BFGS: 83 10:59:35 -798.233858 13.338973 BFGS: 84 10:59:37 -800.248486 13.306228 BFGS: 85 10:59:38 -802.213946 13.275222 BFGS: 86 10:59:39 -804.128579 13.245202 BFGS: 87 10:59:46 -805.972935 13.221222 BFGS: 88 10:59:54 -807.829883 13.196550 BFGS: 89 10:59:55 -809.855339 13.177467 BFGS: 90 10:59:59 -812.315501 13.158173 BFGS: 91 11:00:02 -815.178563 13.124255 BFGS: 92 11:00:03 -818.317108 13.094673 BFGS: 93 11:00:07 -821.379281 13.072045 BFGS: 94 11:00:08 -824.466036 13.067505 BFGS: 95 11:00:09 -827.633500 13.012240 BFGS: 96 11:00:10 -830.592995 12.976907 BFGS: 97 11:00:11 -833.849408 12.945782 BFGS: 98 11:00:13 -837.061548 12.927914 BFGS: 99 11:00:14 -840.193753 12.917372 BFGS: 100 11:00:16 -843.020499 12.880039 BFGS: 101 11:00:17 -845.767664 12.840005 BFGS: 102 11:00:18 -848.524094 12.802042 BFGS: 103 11:00:19 -851.296188 12.770503 BFGS: 104 11:00:21 -854.084711 12.738497 BFGS: 105 11:00:22 -856.922440 12.705385 BFGS: 106 11:00:22 -859.650656 12.700832 BFGS: 107 11:00:23 -862.364911 12.658503 BFGS: 108 11:00:25 -865.216478 12.640589 BFGS: 109 11:00:26 -868.214562 12.629533 BFGS: 110 11:00:28 -871.257325 12.622101 BFGS: 111 11:00:29 -874.274175 12.621869 BFGS: 112 11:00:31 -877.263476 12.627603 BFGS: 113 11:00:33 -880.222110 12.642117 BFGS: 114 11:00:33 -883.223384 12.673242 BFGS: 115 11:00:34 -886.472706 12.676529 BFGS: 116 11:00:35 -889.835397 12.685071 BFGS: 117 11:00:36 -892.964805 12.642243 BFGS: 118 11:00:38 -896.898180 12.694167 BFGS: 119 11:00:39 -900.660355 12.701305 BFGS: 120 11:00:40 -903.899214 12.633525 BFGS: 121 11:00:40 -906.777640 12.557384 BFGS: 122 11:00:41 -909.432008 12.492001 BFGS: 123 11:00:43 -911.989144 12.432695 BFGS: 124 11:00:44 -914.765139 12.384914 BFGS: 125 11:00:45 -917.316557 12.424126 BFGS: 126 11:00:46 -921.362086 12.621062 BFGS: 127 11:00:46 -924.908248 12.556260 BFGS: 128 11:00:47 -928.144746 12.564314 BFGS: 129 11:00:48 -931.325154 12.556148 BFGS: 130 11:00:49 -934.397713 12.537177 BFGS: 131 11:00:50 -937.403498 12.510035 BFGS: 132 11:00:52 -940.262429 12.473347 BFGS: 133 11:00:53 -943.177341 12.440833 BFGS: 134 11:00:54 -946.009404 12.423982 BFGS: 135 11:00:55 -948.783857 12.409874 BFGS: 136 11:00:57 -952.181586 12.422067 BFGS: 137 11:01:00 -957.203413 12.421331 BFGS: 138 11:01:04 -961.980134 12.388426 BFGS: 139 11:01:06 -967.603544 12.465308 BFGS: 140 11:01:13 -976.045214 12.729586 BFGS: 141 11:01:14 -985.153972 12.849664 BFGS: 142 11:01:15 -993.325461 12.765137 BFGS: 143 11:01:16 -999.855421 12.625026 BFGS: 144 11:01:22 -1004.956987 12.497256 BFGS: 145 11:01:29 -1009.702177 12.367469 BFGS: 146 11:01:33 -1014.537206 12.224952 BFGS: 147 11:01:36 -1019.210749 12.099684 BFGS: 148 11:01:37 -1023.637490 11.990223 BFGS: 149 11:01:40 -1027.848336 11.902770 BFGS: 150 11:01:41 -1031.799823 11.830787 BFGS: 151 11:01:47 -1035.695794 11.777728 BFGS: 152 11:01:52 -1039.610751 11.745230 BFGS: 153 11:01:57 -1044.135541 11.716915 BFGS: 154 11:02:02 -1050.224253 11.702409 BFGS: 155 11:02:12 -1057.077508 11.682948 BFGS: 156 11:02:26 -1063.644736 11.659847 BFGS: 157 11:02:44 -1069.796471 11.604017 BFGS: 158 11:02:59 -1074.812883 11.580650 BFGS: 159 11:03:12 -1079.419522 11.555651 BFGS: 160 11:03:18 -1083.537162 11.505863 BFGS: 161 11:03:30 -1087.399666 11.481157 BFGS: 162 11:03:34 -1091.081049 11.490723 BFGS: 163 11:03:41 -1094.584624 11.462438 BFGS: 164 11:03:46 -1098.040299 11.428709 BFGS: 165 11:03:50 -1101.446200 11.399733 BFGS: 166 11:03:56 -1104.828008 11.378228 BFGS: 167 11:04:00 -1108.158040 11.357476 BFGS: 168 11:04:03 -1111.462501 11.343495 BFGS: 169 11:04:06 -1114.748710 11.333412 BFGS: 170 11:04:10 -1118.014812 11.331599 BFGS: 171 11:04:14 -1121.228607 11.331594 BFGS: 172 11:04:18 -1124.370915 11.336172 BFGS: 173 11:04:21 -1127.428505 11.345153 BFGS: 174 11:04:28 -1130.427662 11.366845 BFGS: 175 11:04:32 -1133.270941 11.378248 BFGS: 176 11:04:33 -1136.003873 11.398494 BFGS: 177 11:04:34 -1138.640062 11.423342 BFGS: 178 11:04:34 -1141.153127 11.430126 BFGS: 179 11:04:35 -1143.507635 11.446571 BFGS: 180 11:04:35 -1145.821313 11.472357 BFGS: 181 11:04:36 -1148.132305 11.508891 BFGS: 182 11:04:36 -1150.410480 11.549970 BFGS: 183 11:04:37 -1152.773011 11.607395 BFGS: 184 11:04:37 -1155.204244 11.666939 BFGS: 185 11:04:38 -1157.650097 11.725198 BFGS: 186 11:04:39 -1160.067467 11.779412 BFGS: 187 11:04:40 -1162.443321 11.830488 BFGS: 188 11:04:40 -1164.752037 11.876825 BFGS: 189 11:04:41 -1167.053137 11.928828 BFGS: 190 11:04:41 -1169.383620 11.994133 BFGS: 191 11:04:44 -1171.741759 12.073584 BFGS: 192 11:04:44 -1174.231849 12.165107 BFGS: 193 11:04:45 -1176.962864 12.255636 BFGS: 194 11:04:48 -1179.941987 12.327026 BFGS: 195 11:04:49 -1182.751700 12.377862 BFGS: 196 11:04:54 -1185.448093 12.373255 BFGS: 197 11:04:55 -1188.023092 12.317434 BFGS: 198 11:04:57 -1190.523459 12.231976 BFGS: 199 11:04:59 -1192.977078 12.120415 BFGS: 200 11:05:01 -1195.498076 12.020677 BFGS: 201 11:05:04 -1198.168548 11.917527 BFGS: 202 11:05:08 -1200.970011 11.823412 BFGS: 203 11:05:10 -1203.781782 11.748501 BFGS: 204 11:05:12 -1206.553920 11.690484 BFGS: 205 11:05:14 -1209.185312 11.642048 BFGS: 206 11:05:16 -1211.713449 11.602289 BFGS: 207 11:05:17 -1214.142264 11.571884 BFGS: 208 11:05:23 -1216.484969 11.543122 BFGS: 209 11:05:27 -1218.749634 11.522869 BFGS: 210 11:05:29 -1220.952076 11.505278 BFGS: 211 11:05:31 -1223.146904 11.495735 BFGS: 212 11:05:33 -1225.248677 11.483061 BFGS: 213 11:05:35 -1227.306223 11.470416 BFGS: 214 11:05:38 -1229.323125 11.458372 BFGS: 215 11:05:43 -1231.303258 11.447178 BFGS: 216 11:05:46 -1233.230936 11.449536 BFGS: 217 11:05:48 -1235.148961 11.438968 BFGS: 218 11:05:50 -1237.036354 11.430902 BFGS: 219 11:05:55 -1238.892389 11.419073 BFGS: 220 11:05:59 -1240.715130 11.408021 BFGS: 221 11:06:02 -1242.506188 11.397067 BFGS: 222 11:06:07 -1244.266137 11.386120 BFGS: 223 11:06:12 -1245.995220 11.374749 BFGS: 224 11:06:18 -1247.695071 11.363768 BFGS: 225 11:06:22 -1249.365889 11.352569 BFGS: 226 11:06:29 -1251.008210 11.341220 BFGS: 227 11:06:37 -1252.622497 11.329717 BFGS: 228 11:06:48 -1254.209135 11.318063 BFGS: 229 11:06:56 -1255.768448 11.306267 BFGS: 230 11:06:59 -1257.300625 11.294350 BFGS: 231 11:07:10 -1258.805863 11.282483 BFGS: 232 11:07:20 -1260.284594 11.270431 BFGS: 233 11:07:26 -1261.737031 11.258307 BFGS: 234 11:07:37 -1263.163357 11.246147 BFGS: 235 11:07:53 -1264.563767 11.233986 BFGS: 236 11:08:05 -1265.938468 11.221857 BFGS: 237 11:08:18 -1267.287700 11.209797 BFGS: 238 11:08:21 -1268.611742 11.197841 BFGS: 239 11:08:25 -1269.910921 11.186027 BFGS: 240 11:08:27 -1271.185617 11.174391 BFGS: 241 11:08:27 -1272.436110 11.162966 BFGS: 242 11:08:28 -1273.663254 11.151757 BFGS: 243 11:08:29 -1274.867217 11.140872 BFGS: 244 11:08:31 -1276.048796 11.130308 BFGS: 245 11:08:33 -1277.208629 11.120101 BFGS: 246 11:08:34 -1278.347397 11.110288 BFGS: 247 11:08:35 -1279.465797 11.100894 BFGS: 248 11:08:36 -1280.564546 11.091942 BFGS: 249 11:08:37 -1281.644374 11.083454 BFGS: 250 11:08:40 -1282.706009 11.075444 BFGS: 251 11:08:44 -1283.750177 11.067925 BFGS: 252 11:08:46 -1284.777591 11.060904 BFGS: 253 11:08:46 -1285.788949 11.054386 BFGS: 254 11:08:47 -1286.784929 11.048369 BFGS: 255 11:08:48 -1287.766191 11.042850 BFGS: 256 11:08:49 -1288.733375 11.037820 BFGS: 257 11:08:49 -1289.687104 11.033266 BFGS: 258 11:08:50 -1290.627985 11.029176 BFGS: 259 11:08:51 -1291.556616 11.025530 BFGS: 260 11:08:52 -1292.447334 11.015204 BFGS: 261 11:08:54 -1293.354222 11.013460 BFGS: 262 11:09:00 -1294.250133 11.011457 BFGS: 263 11:09:01 -1295.135725 11.009612 BFGS: 264 11:09:11 -1296.011754 11.007999 BFGS: 265 11:09:13 -1296.878859 11.006630 BFGS: 266 11:09:15 -1297.737655 11.005512 BFGS: 267 11:09:20 -1298.588737 11.004638 BFGS: 268 11:09:21 -1299.432692 11.003999 BFGS: 269 11:09:22 -1300.270104 11.003586 BFGS: 270 11:09:25 -1301.101551 11.003388 BFGS: 271 11:09:32 -1301.927611 11.003396 BFGS: 272 11:09:35 -1302.748858 11.003603 BFGS: 273 11:09:42 -1303.565869 11.004000 BFGS: 274 11:09:49 -1304.379214 11.004639 BFGS: 275 11:09:49 -1305.189388 11.005373 BFGS: 276 11:09:50 -1305.997065 11.006304 BFGS: 277 11:09:50 -1306.802179 11.006992 BFGS: 278 11:09:51 -1307.607711 11.008406 BFGS: 279 11:09:52 -1308.412927 11.009999 BFGS: 280 11:09:52 -1309.218079 11.011170 BFGS: 281 11:09:53 -1309.990714 11.004305 BFGS: 282 11:09:55 -1310.799796 11.007258 BFGS: 283 11:09:55 -1311.610883 11.010129 BFGS: 284 11:09:56 -1312.425113 11.013145 BFGS: 285 11:09:57 -1313.243755 11.016378 BFGS: 286 11:09:59 -1314.068193 11.019881 BFGS: 287 11:10:01 -1314.899982 11.023643 BFGS: 288 11:10:05 -1315.740944 11.027851 BFGS: 289 11:10:08 -1316.592793 11.032417 BFGS: 290 11:10:11 -1317.457217 11.037367 BFGS: 291 11:10:13 -1318.335547 11.042702 BFGS: 292 11:10:14 -1319.228537 11.048406 BFGS: 293 11:10:15 -1320.136197 11.054449 BFGS: 294 11:10:16 -1321.057775 11.060793 BFGS: 295 11:10:17 -1321.991838 11.067392 BFGS: 296 11:10:18 -1322.935953 11.073909 BFGS: 297 11:10:19 -1323.889451 11.080915 BFGS: 298 11:10:20 -1324.847908 11.088023 BFGS: 299 11:10:23 -1325.809319 11.095280 BFGS: 300 11:10:24 -1326.770538 11.103543 BFGS: 301 11:10:26 -1327.729954 11.110736 BFGS: 302 11:10:28 -1328.685351 11.118016 BFGS: 303 11:10:30 -1329.633214 11.125282 BFGS: 304 11:10:31 -1330.571583 11.132462 BFGS: 305 11:10:32 -1331.498614 11.139542 BFGS: 306 11:10:33 -1332.412706 11.146510 BFGS: 307 11:10:33 -1333.312537 11.153355 BFGS: 308 11:10:34 -1334.197069 11.160066 BFGS: 309 11:10:35 -1335.065363 11.167132 BFGS: 310 11:10:43 -1335.916491 11.173758 BFGS: 311 11:10:43 -1336.750683 11.180154 BFGS: 312 11:10:44 -1337.568200 11.186387 BFGS: 313 11:10:45 -1338.369241 11.192440 BFGS: 314 11:10:47 -1339.154199 11.198319 BFGS: 315 11:10:50 -1339.923572 11.204026 BFGS: 316 11:10:54 -1340.677967 11.209563 BFGS: 317 11:10:59 -1341.418071 11.214939 BFGS: 318 11:11:02 -1342.144635 11.220159 BFGS: 319 11:11:04 -1342.858452 11.225236 BFGS: 320 11:11:05 -1343.560343 11.230181 BFGS: 321 11:11:07 -1344.238959 11.216357 BFGS: 322 11:11:11 -1344.894081 11.217350 BFGS: 323 11:11:12 -1345.535359 11.218756 BFGS: 324 11:11:16 -1346.165487 11.220058 BFGS: 325 11:11:17 -1346.786257 11.221163 BFGS: 326 11:11:19 -1347.399463 11.222043 BFGS: 327 11:11:20 -1348.006666 11.222673 BFGS: 328 11:11:21 -1348.609136 11.223033 BFGS: 329 11:11:25 -1349.207821 11.223107 BFGS: 330 11:11:27 -1349.803399 11.222888 BFGS: 331 11:11:32 -1350.396345 11.222373 BFGS: 332 11:11:33 -1350.986999 11.221568 BFGS: 333 11:11:34 -1351.575615 11.220484 BFGS: 334 11:11:35 -1352.162397 11.219135 BFGS: 335 11:11:41 -1352.747391 11.217752 BFGS: 336 11:11:45 -1353.330916 11.215992 BFGS: 337 11:11:47 -1353.913008 11.213964 BFGS: 338 11:11:48 -1354.490844 11.211165 BFGS: 339 11:11:52 -1355.070589 11.208761 BFGS: 340 11:11:53 -1355.649031 11.206294 BFGS: 341 11:11:55 -1356.226411 11.203753 BFGS: 342 11:11:57 -1356.802933 11.201161 BFGS: 343 11:11:59 -1357.378777 11.198542 BFGS: 344 11:12:01 -1357.954097 11.195922 BFGS: 345 11:12:08 -1358.529025 11.193323 BFGS: 346 11:12:09 -1359.103468 11.190069 BFGS: 347 11:12:10 -1359.678031 11.187534 BFGS: 348 11:12:11 -1360.252604 11.185040 BFGS: 349 11:12:14 -1360.827216 11.182648 BFGS: 350 11:12:16 -1361.401874 11.180380 BFGS: 351 11:12:18 -1361.976583 11.178244 BFGS: 352 11:12:21 -1362.546024 11.175330 BFGS: 353 11:12:22 -1363.121049 11.173376 BFGS: 354 11:12:27 -1363.695646 11.171634 BFGS: 355 11:12:32 -1364.270008 11.170049 BFGS: 356 11:12:37 -1364.844310 11.168611 BFGS: 357 11:12:40 -1365.418708 11.167314 BFGS: 358 11:12:42 -1365.993336 11.166152 BFGS: 359 11:12:43 -1366.568298 11.165117 BFGS: 360 11:12:44 -1367.143678 11.164201 BFGS: 361 11:12:45 -1367.719523 11.163384 BFGS: 362 11:12:46 -1368.296153 11.162745 BFGS: 363 11:12:47 -1368.873271 11.162181 BFGS: 364 11:12:47 -1369.450925 11.161676 BFGS: 365 11:12:48 -1370.029153 11.161218 BFGS: 366 11:12:49 -1370.607987 11.160800 BFGS: 367 11:12:51 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BFGS: 1352 11:44:27 -1979.507170 0.972561 BFGS: 1353 11:44:29 -1979.551976 0.687546 BFGS: 1354 11:44:31 -1979.558339 0.688529 BFGS: 1355 11:44:32 -1979.562444 0.692518 BFGS: 1356 11:44:33 -1979.563366 0.691795 BFGS: 1357 11:44:33 -1979.567610 0.686375 BFGS: 1358 11:44:34 -1979.574154 0.683203 BFGS: 1359 11:44:35 -1979.591923 0.676840 BFGS: 1360 11:44:36 -1979.630776 0.706481 BFGS: 1361 11:44:36 -1979.712934 0.744567 BFGS: 1362 11:44:37 -1979.851007 0.780194 BFGS: 1363 11:44:38 -1979.982959 0.786677 BFGS: 1364 11:44:40 -1980.091111 0.835783 BFGS: 1365 11:44:42 -1980.118985 0.903629 BFGS: 1366 11:44:45 -1980.126439 0.868759 BFGS: 1367 11:44:47 -1980.127683 0.865368 BFGS: 1368 11:44:47 -1980.129005 0.862194 BFGS: 1369 11:44:48 -1980.129067 0.861530 BFGS: 1370 11:44:49 -1980.129133 0.860965 BFGS: 1371 11:44:49 -1980.129143 0.860648 BFGS: 1372 11:44:50 -1980.129238 0.858556 BFGS: 1373 11:44:53 -1980.129381 0.856467 BFGS: 1374 11:44:54 -1980.129815 0.852587 BFGS: 1375 11:44:55 -1980.130858 0.846945 BFGS: 1376 11:44:59 -1980.133642 0.837907 BFGS: 1377 11:45:00 -1980.140761 0.824263 BFGS: 1378 11:45:01 -1980.158401 0.804323 BFGS: 1379 11:45:01 -1980.201300 0.772547 BFGS: 1380 11:45:02 -1980.256221 0.756455 BFGS: 1381 11:45:03 -1980.364480 0.755887 BFGS: 1382 11:45:07 -1980.490877 0.786076 BFGS: 1383 11:45:08 -1980.614223 0.845317 BFGS: 1384 11:45:08 -1980.683227 0.933817 BFGS: 1385 11:45:09 -1980.688880 0.949113 BFGS: 1386 11:45:10 -1980.691092 0.952742 BFGS: 1387 11:45:11 -1980.691731 0.952246 BFGS: 1388 11:45:12 -1980.692584 0.950423 BFGS: 1389 11:45:12 -1980.693033 0.949598 BFGS: 1390 11:45:13 -1980.694752 0.946512 BFGS: 1391 11:45:14 -1980.697719 0.942192 BFGS: 1392 11:45:14 -1980.705634 0.932093 BFGS: 1393 11:45:15 -1980.721097 0.910303 BFGS: 1394 11:45:15 -1980.745251 0.876141 BFGS: 1395 11:45:16 -1980.781223 0.840935 BFGS: 1396 11:45:17 -1980.790610 0.799611 BFGS: 1397 11:45:17 -1980.830766 0.762318 BFGS: 1398 11:45:18 -1980.869263 0.720742 BFGS: 1399 11:45:19 -1980.897837 0.675526 BFGS: 1400 11:45:20 -1980.906320 0.649866 BFGS: 1401 11:45:20 -1980.906998 0.651781 BFGS: 1402 11:45:21 -1980.907595 0.660580 BFGS: 1403 11:45:22 -1980.907716 0.662553 BFGS: 1404 11:45:22 -1980.907946 0.665579 BFGS: 1405 11:45:23 -1980.908101 0.666922 BFGS: 1406 11:45:23 -1980.908922 0.671660 BFGS: 1407 11:45:24 -1980.910559 0.676708 BFGS: 1408 11:45:25 -1980.915959 0.682082 BFGS: 1409 11:45:25 -1980.929450 0.692371 BFGS: 1410 11:45:26 -1980.978850 0.697048 BFGS: 1411 11:45:27 -1981.024654 0.692380 BFGS: 1412 11:45:29 -1981.055757 0.684293 BFGS: 1413 11:45:30 -1981.084781 0.674828 BFGS: 1414 11:45:31 -1981.112230 0.665845 BFGS: 1415 11:45:38 -1981.136090 0.664965 BFGS: 1416 11:45:43 -1981.159601 0.638307 BFGS: 1417 11:45:49 -1981.178914 0.636231 BFGS: 1418 11:45:51 -1981.194979 0.612157 BFGS: 1419 11:45:52 -1981.208526 0.599803 BFGS: 1420 11:45:52 -1981.218831 0.597003 BFGS: 1421 11:45:53 -1981.234785 0.584084 BFGS: 1422 11:45:54 -1981.239361 0.569234 BFGS: 1423 11:45:54 -1981.241510 0.557178 BFGS: 1424 11:45:55 -1981.242400 0.553261 BFGS: 1425 11:45:55 -1981.242082 0.547678 BFGS: 1426 11:45:56 -1981.242913 0.547757 BFGS: 1427 11:45:57 -1981.244929 0.552600 BFGS: 1428 11:45:57 -1981.245932 0.559253 BFGS: 1429 11:45:58 -1981.247966 0.564424 BFGS: 1430 11:45:58 -1981.248208 0.565949 BFGS: 1431 11:45:59 -1981.248764 0.567997 BFGS: 1432 11:45:59 -1981.250039 0.570388 BFGS: 1433 11:46:06 -1981.253367 0.573817 BFGS: 1434 11:46:17 -1981.261773 0.578197 BFGS: 1435 11:46:19 -1981.277571 0.582100 BFGS: 1436 11:46:20 -1981.317482 0.583342 BFGS: 1437 11:46:21 -1981.351241 0.581082 BFGS: 1438 11:46:26 -1981.384556 0.577798 BFGS: 1439 11:46:36 -1981.418031 0.573875 BFGS: 1440 11:46:40 -1981.451445 0.567822 BFGS: 1441 11:46:43 -1981.485742 0.564234 BFGS: 1442 11:46:50 -1981.519066 0.559018 BFGS: 1443 11:46:53 -1981.552136 0.552183 BFGS: 1444 11:46:58 -1981.585621 0.546746 BFGS: 1445 11:46:59 -1981.618646 0.542964 BFGS: 1446 11:46:59 -1981.650856 0.535853 BFGS: 1447 11:46:59 -1981.688661 0.532532 BFGS: 1448 11:47:00 -1981.713907 0.524301 BFGS: 1449 11:47:01 -1981.750248 0.519422 BFGS: 1450 11:47:01 -1981.780261 0.514854 BFGS: 1451 11:47:01 -1981.809041 0.507593 BFGS: 1452 11:47:02 -1981.837249 0.501731 BFGS: 1453 11:47:03 -1981.864580 0.495957 BFGS: 1454 11:47:04 -1981.891051 0.490192 BFGS: 1455 11:47:05 -1981.916653 0.484436 BFGS: 1456 11:47:05 -1981.941360 0.480302 BFGS: 1457 11:47:06 -1981.965066 0.473065 BFGS: 1458 11:47:06 -1981.988030 0.467252 BFGS: 1459 11:47:06 -1982.010089 0.461484 BFGS: 1460 11:47:07 -1982.031256 0.455725 BFGS: 1461 11:47:07 -1982.051530 0.449983 BFGS: 1462 11:47:11 -1982.070909 0.444244 BFGS: 1463 11:47:14 -1982.089394 0.438521 BFGS: 1464 11:47:15 -1982.106984 0.432800 BFGS: 1465 11:47:17 -1982.123680 0.427099 BFGS: 1466 11:47:21 -1982.139483 0.431068 BFGS: 1467 11:47:28 -1982.154394 0.445101 BFGS: 1468 11:47:29 -1982.168414 0.459266 BFGS: 1469 11:47:30 -1982.181534 0.473544 BFGS: 1470 11:47:30 -1982.194051 0.490449 BFGS: 1471 11:47:36 -1982.205480 0.503973 BFGS: 1472 11:47:38 -1982.215897 0.518633 BFGS: 1473 11:47:43 -1982.225500 0.532705 BFGS: 1474 11:47:46 -1982.234115 0.547794 BFGS: 1475 11:47:47 -1982.241976 0.561660 BFGS: 1476 11:47:50 -1982.248854 0.577117 BFGS: 1477 11:47:53 -1982.254834 0.590731 BFGS: 1478 11:47:55 -1982.260014 0.606088 BFGS: 1479 11:47:57 -1982.264464 0.619998 BFGS: 1480 11:47:58 -1982.268067 0.635019 BFGS: 1481 11:48:00 -1982.270911 0.648952 BFGS: 1482 11:48:03 -1982.272962 0.663853 BFGS: 1483 11:48:05 -1982.274295 0.677568 BFGS: 1484 11:48:07 -1982.274967 0.692553 BFGS: 1485 11:48:08 -1982.275177 0.696383 BFGS: 1486 11:48:09 -1982.275376 0.704981 BFGS: 1487 11:48:10 -1982.275499 0.706169 BFGS: 1488 11:48:12 -1982.275964 0.709084 BFGS: 1489 11:48:13 -1982.276399 0.709742 BFGS: 1490 11:48:14 -1982.271728 0.701425 BFGS: 1491 11:48:14 -1982.278011 0.701960 BFGS: 1492 11:48:15 -1982.279320 0.699325 BFGS: 1493 11:48:16 -1982.282788 0.693617 BFGS: 1494 11:48:18 -1982.290556 0.681170 BFGS: 1495 11:48:18 -1982.312910 0.653807 BFGS: 1496 11:48:20 -1982.317376 0.649994 BFGS: 1497 11:48:20 -1982.325467 0.649268 BFGS: 1498 11:48:21 -1982.314430 0.653264 BFGS: 1499 11:48:21 -1982.319245 0.661302 BFGS: 1500 11:48:22 -1982.322763 0.678380 BFGS: 1501 11:48:22 -1982.325170 0.702235 BFGS: 1502 11:48:22 -1982.315959 0.724636 BFGS: 1503 11:48:23 -1982.327246 0.740085 BFGS: 1504 11:48:23 -1982.327759 0.742711 BFGS: 1505 11:48:24 -1982.318602 0.745055 BFGS: 1506 11:48:24 -1982.331578 0.754416 BFGS: 1507 11:48:25 -1982.333912 0.757615 BFGS: 1508 11:48:28 -1982.344899 0.760337 BFGS: 1509 11:48:34 -1982.360081 0.765906 BFGS: 1510 11:48:37 -1982.383391 0.774448 BFGS: 1511 11:48:41 -1982.442031 0.789487 BFGS: 1512 11:48:46 -1982.488660 0.803979 BFGS: 1513 11:48:47 -1982.546681 0.814350 BFGS: 1514 11:48:52 -1982.600979 0.820914 BFGS: 1515 11:48:58 -1982.656818 0.824805 BFGS: 1516 11:49:00 -1982.712237 0.826496 BFGS: 1517 11:49:03 -1982.762740 0.826814 BFGS: 1518 11:49:05 -1982.810204 0.824726 BFGS: 1519 11:49:08 -1982.849693 0.825996 BFGS: 1520 11:49:10 -1982.891135 0.824599 BFGS: 1521 11:49:12 -1982.931833 0.823526 BFGS: 1522 11:49:13 -1982.971748 0.819683 BFGS: 1523 11:49:16 -1983.011727 0.817367 BFGS: 1524 11:49:20 -1983.051901 0.813833 BFGS: 1525 11:49:24 -1983.091592 0.810323 BFGS: 1526 11:49:29 -1983.131149 0.806256 BFGS: 1527 11:49:32 -1983.170252 0.802219 BFGS: 1528 11:49:34 -1983.209152 0.797841 BFGS: 1529 11:49:35 -1983.246444 0.794227 BFGS: 1530 11:49:36 -1983.285226 0.788287 BFGS: 1531 11:49:37 -1983.322660 0.784237 BFGS: 1532 11:49:38 -1983.360638 0.778863 BFGS: 1533 11:49:39 -1983.397896 0.774407 BFGS: 1534 11:49:41 -1983.435317 0.769239 BFGS: 1535 11:49:42 -1983.472260 0.764506 BFGS: 1536 11:49:44 -1983.509186 0.759382 BFGS: 1537 11:49:45 -1983.545771 0.754458 BFGS: 1538 11:49:46 -1983.582252 0.749313 BFGS: 1539 11:49:47 -1983.618464 0.744254 BFGS: 1540 11:49:49 -1983.654527 0.739065 BFGS: 1541 11:49:52 -1983.690357 0.733903 BFGS: 1542 11:49:55 -1983.726015 0.728660 BFGS: 1543 11:49:58 -1983.761457 0.723417 BFGS: 1544 11:50:01 -1983.796712 0.718119 BFGS: 1545 11:50:02 -1983.831757 0.712808 BFGS: 1546 11:50:02 -1983.868972 0.707482 BFGS: 1547 11:50:04 -1983.903736 0.702096 BFGS: 1548 11:50:07 -1983.938181 0.696637 BFGS: 1549 11:50:14 -1983.982984 0.691303 BFGS: 1550 11:50:16 -1984.017236 0.685831 BFGS: 1551 11:50:17 -1984.050938 0.680206 BFGS: 1552 11:50:19 -1984.084582 0.674532 BFGS: 1553 11:50:26 -1984.117881 0.669022 BFGS: 1554 11:50:28 -1984.151021 0.663398 BFGS: 1555 11:50:34 -1984.183877 0.657847 BFGS: 1556 11:50:37 -1984.216535 0.652223 BFGS: 1557 11:50:41 -1984.248936 0.646626 BFGS: 1558 11:50:42 -1984.281117 0.640983 BFGS: 1559 11:50:43 -1984.313049 0.635345 BFGS: 1560 11:50:44 -1984.344748 0.629675 BFGS: 1561 11:50:45 -1984.376199 0.623999 BFGS: 1562 11:50:45 -1984.407409 0.618300 BFGS: 1563 11:50:46 -1984.438367 0.612590 BFGS: 1564 11:50:46 -1984.469077 0.606860 BFGS: 1565 11:50:46 -1984.499532 0.601118 BFGS: 1566 11:50:47 -1984.529731 0.595358 BFGS: 1567 11:50:47 -1984.559672 0.589585 BFGS: 1568 11:50:48 -1984.589352 0.583796 BFGS: 1569 11:50:48 -1984.618769 0.577994 BFGS: 1570 11:50:49 -1984.647921 0.572177 BFGS: 1571 11:50:49 -1984.676805 0.566346 BFGS: 1572 11:50:50 -1984.705419 0.560501 BFGS: 1573 11:50:50 -1984.733761 0.554643 BFGS: 1574 11:50:50 -1984.761829 0.548772 BFGS: 1575 11:50:53 -1984.789621 0.542887 BFGS: 1576 11:50:54 -1984.817135 0.536990 BFGS: 1577 11:50:55 -1984.848495 0.531119 BFGS: 1578 11:50:56 -1984.875510 0.525190 BFGS: 1579 11:50:56 -1984.902124 0.519172 BFGS: 1580 11:50:57 -1984.928539 0.513179 BFGS: 1581 11:50:57 -1984.954607 0.507220 BFGS: 1582 11:50:58 -1984.980426 0.501226 BFGS: 1583 11:50:58 -1984.999313 0.495309 BFGS: 1584 11:50:59 -1985.024887 0.487405 BFGS: 1585 11:50:59 -1985.049534 0.482701 BFGS: 1586 11:50:59 -1985.074367 0.476030 BFGS: 1587 11:51:00 -1985.094276 0.470394 BFGS: 1588 11:51:00 -1985.118531 0.463280 BFGS: 1589 11:51:01 -1985.142078 0.457840 BFGS: 1590 11:51:01 -1985.165570 0.451451 BFGS: 1591 11:51:02 -1985.186693 0.445539 BFGS: 1592 11:51:02 -1985.209551 0.439020 BFGS: 1593 11:51:02 -1985.231932 0.433146 BFGS: 1594 11:51:03 -1985.254104 0.426897 BFGS: 1595 11:51:03 -1985.275892 0.420822 BFGS: 1596 11:51:04 -1985.297407 0.414651 BFGS: 1597 11:51:05 -1985.318585 0.408512 BFGS: 1598 11:51:11 -1985.342812 0.402367 BFGS: 1599 11:51:16 -1985.363428 0.396212 BFGS: 1600 11:51:23 -1985.383640 0.389895 BFGS: 1601 11:51:25 -1985.403612 0.383690 BFGS: 1602 11:51:30 -1985.423211 0.377477 BFGS: 1603 11:51:37 -1985.442542 0.371257 BFGS: 1604 11:51:51 -1985.461522 0.365041 BFGS: 1605 11:51:58 -1985.480004 0.358850 BFGS: 1606 11:52:05 -1985.498437 0.352038 BFGS: 1607 11:52:10 -1985.516443 0.346028 BFGS: 1608 11:52:14 -1985.534189 0.339644 BFGS: 1609 11:52:15 -1985.551571 0.333428 BFGS: 1610 11:52:17 -1985.568651 0.327139 BFGS: 1611 11:52:17 -1985.585395 0.320874 BFGS: 1612 11:52:18 -1985.601826 0.314588 BFGS: 1613 11:52:25 -1985.617930 0.308302 BFGS: 1614 11:52:26 -1985.633716 0.302007 BFGS: 1615 11:52:27 -1985.649176 0.295706 BFGS: 1616 11:52:29 -1985.664317 0.289399 BFGS: 1617 11:52:32 -1985.685669 0.283136 BFGS: 1618 11:52:35 -1985.700226 0.276900 BFGS: 1619 11:52:37 -1985.714346 0.270348 BFGS: 1620 11:52:38 -1985.712373 0.264126 BFGS: 1621 11:52:40 -1985.726078 0.255921 BFGS: 1622 11:52:41 -1985.739280 0.249861 BFGS: 1623 11:52:42 -1985.752091 0.243094 BFGS: 1624 11:52:44 -1985.764626 0.236779 BFGS: 1625 11:52:45 -1985.776719 0.230180 BFGS: 1626 11:52:46 -1985.788523 0.223801 BFGS: 1627 11:52:46 -1985.799920 0.217379 BFGS: 1628 11:52:47 -1985.811037 0.210970 BFGS: 1629 11:52:47 -1985.821195 0.204567 BFGS: 1630 11:52:48 -1985.831622 0.198086 BFGS: 1631 11:52:48 -1985.841691 0.191696 BFGS: 1632 11:52:49 -1985.861902 0.185458 BFGS: 1633 11:52:50 -1985.868112 0.178974 BFGS: 1634 11:52:50 -1985.880384 0.172284 BFGS: 1635 11:52:57 -1985.889258 0.165850 BFGS: 1636 11:52:57 -1985.897557 0.159251 BFGS: 1637 11:52:58 -1985.905722 0.152746 BFGS: 1638 11:52:59 -1985.913373 0.146273 BFGS: 1639 11:53:00 -1985.920842 0.139776 BFGS: 1640 11:53:00 -1985.927843 0.133314 BFGS: 1641 11:53:01 -1985.934623 0.126823 BFGS: 1642 11:53:02 -1985.940971 0.120355 BFGS: 1643 11:53:02 -1985.947065 0.113864 BFGS: 1644 11:53:03 -1985.952993 0.104821 BFGS: 1645 11:53:04 -1985.958381 0.098954 BFGS: 1646 11:53:05 -1985.961455 0.092369 BFGS: 1647 11:53:08 -1985.966094 0.085859 BFGS: 1648 11:53:09 -1985.970421 0.079462 BFGS: 1649 11:53:09 -1985.986369 0.073146 BFGS: 1650 11:53:15 -1985.990038 0.066651 BFGS: 1651 11:53:18 -1985.993282 0.059853 BFGS: 1652 11:53:20 -1985.991598 0.053367 BFGS: 1653 11:53:21 -1985.994158 0.046483 BFGS: 1654 11:53:22 -1985.996415 0.039979 BFGS: 1655 11:53:24 -1985.998286 0.033378 BFGS: 1656 11:53:26 -1985.999855 0.026887 BFGS: 1657 11:53:26 -1986.001050 0.020381 BFGS: 1658 11:53:27 -1986.001936 0.013938 BFGS: 1659 11:53:27 -1986.002461 0.008891 BFGS: 1660 11:53:27 -1986.002664 0.003726 BFGS: 1661 11:53:28 -1986.002666 0.004142 BFGS: 1662 11:53:28 -1986.002667 0.002494 BFGS: 1663 11:53:29 -1986.002667 0.002289 BFGS: 1664 11:53:29 -1986.002669 0.001117 BFGS: 1665 11:53:32 -1986.002669 0.000914 BFGS: 1666 11:53:39 -1986.002669 0.000667 BFGS: 1667 11:53:44 -1986.002670 0.000427 BFGS: 1668 11:53:48 -1986.002670 0.000237 BFGS: 1669 11:53:49 -1986.002670 0.000185 BFGS: 1670 11:53:50 -1986.002670 0.000213 BFGS: 1671 11:53:54 -1986.002670 0.000164 BFGS: 1672 11:53:58 -1986.002670 0.000061 BFGS: 1673 11:54:01 -1986.002670 0.000014 BFGS: 1674 11:54:02 -1986.002670 0.000004 BFGS: 1675 11:54:02 -1986.002670 0.000002 BFGS: 1676 11:54:03 -1986.002670 0.000001 BFGS: 1677 11:54:04 -1986.002670 0.000000 BFGS: 1678 11:54:04 -1986.002670 0.000000 BFGS: 1679 11:54:05 -1986.002670 0.000000 BFGS: 1680 11:54:05 -1986.002670 0.000000 BFGS: 1681 11:54:06 -1986.002670 0.000000 BFGS: 1682 11:54:06 -1986.002670 0.000000 BFGS: 1683 11:54:07 -1986.002670 0.000000 BFGS: 1684 11:54:07 -1986.002670 0.000000 BFGS: 1685 11:54:07 -1986.002670 0.000000 BFGS: 1686 11:54:08 -1986.002670 0.000000 BFGS: 1687 11:54:08 -1986.002670 0.000000 Minimization converged after 1687 steps. Maximum force component: 1.903699777196487e-09 eV/Angstrom Maximum stress component: 1.2841119199946473e-10 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 = [[2.23047506e-31 1.09687583e-30 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 1.26265652e-01] [0.00000000e+00 1.08265606e-17 8.73734348e-01] [6.66666667e-01 3.33333333e-01 4.59598985e-01] [6.66666667e-01 3.33333333e-01 2.07067682e-01] [3.33333333e-01 6.66666667e-01 7.92932318e-01] [3.33333333e-01 6.66666667e-01 5.40401015e-01] [7.85866468e-02 9.21413353e-01 4.54066894e-01] [7.85866468e-02 1.57173294e-01 4.54066894e-01] [8.42826706e-01 9.21413353e-01 4.54066894e-01] [9.21413353e-01 7.85866468e-02 5.45933106e-01] [1.57173294e-01 7.85866468e-02 5.45933106e-01] [9.21413353e-01 8.42826706e-01 5.45933106e-01] [7.45253313e-01 2.54746687e-01 7.87400227e-01] [7.45253313e-01 4.90506627e-01 7.87400227e-01] [5.09493373e-01 2.54746687e-01 7.87400227e-01] [5.88080020e-01 4.11919980e-01 8.79266439e-01] [8.23839960e-01 4.11919980e-01 8.79266439e-01] [5.88080020e-01 1.76160040e-01 8.79266439e-01] [4.11919980e-01 5.88080020e-01 1.20733561e-01] [4.11919980e-01 8.23839960e-01 1.20733561e-01] [1.76160040e-01 5.88080020e-01 1.20733561e-01] [2.54746687e-01 7.45253313e-01 2.12599773e-01] [4.90506627e-01 7.45253313e-01 2.12599773e-01] [2.54746687e-01 5.09493373e-01 2.12599773e-01] [9.19082127e-01 8.09178735e-02 4.70120598e-01] [9.19082127e-01 8.38164253e-01 4.70120598e-01] [1.61835747e-01 8.09178735e-02 4.70120598e-01] [8.09178735e-02 9.19082127e-01 5.29879402e-01] [8.38164253e-01 9.19082127e-01 5.29879402e-01] [8.09178735e-02 1.61835747e-01 5.29879402e-01] [5.85748793e-01 4.14251207e-01 8.03453931e-01] [5.85748793e-01 1.71497586e-01 8.03453931e-01] [8.28502414e-01 4.14251207e-01 8.03453931e-01] [7.47584540e-01 2.52415460e-01 8.63212735e-01] [5.04830920e-01 2.52415460e-01 8.63212735e-01] [7.47584540e-01 4.95169080e-01 8.63212735e-01] [2.52415460e-01 7.47584540e-01 1.36787265e-01] [2.52415460e-01 5.04830920e-01 1.36787265e-01] [4.95169080e-01 7.47584540e-01 1.36787265e-01] [4.14251207e-01 5.85748793e-01 1.96546069e-01] [1.71497586e-01 5.85748793e-01 1.96546069e-01] [4.14251207e-01 8.28502414e-01 1.96546069e-01] [8.81304410e-01 1.18695590e-01 6.08375390e-01] [8.81304410e-01 7.62608820e-01 6.08375390e-01] [2.37391180e-01 1.18695590e-01 6.08375390e-01] [1.18695590e-01 8.81304410e-01 3.91624610e-01] [7.62608820e-01 8.81304410e-01 3.91624610e-01] [1.18695590e-01 2.37391180e-01 3.91624610e-01] [5.47971077e-01 4.52028923e-01 9.41708723e-01] [5.47971077e-01 9.59421532e-02 9.41708723e-01] [9.04057847e-01 4.52028923e-01 9.41708723e-01] [7.85362257e-01 2.14637743e-01 7.24957943e-01] [4.29275487e-01 2.14637743e-01 7.24957943e-01] [7.85362257e-01 5.70724513e-01 7.24957943e-01] [2.14637743e-01 7.85362257e-01 2.75042057e-01] [2.14637743e-01 4.29275487e-01 2.75042057e-01] [5.70724513e-01 7.85362257e-01 2.75042057e-01] [4.52028923e-01 5.47971077e-01 5.82912767e-02] [9.59421532e-02 5.47971077e-01 5.82912767e-02] [4.52028923e-01 9.04057847e-01 5.82912767e-02] [5.36739627e-02 9.46326037e-01 2.66414125e-01] [5.36739627e-02 1.07347925e-01 2.66414125e-01] [8.92652075e-01 9.46326037e-01 2.66414125e-01] [9.46326037e-01 5.36739627e-02 7.33585875e-01] [1.07347925e-01 5.36739627e-02 7.33585875e-01] [9.46326037e-01 8.92652075e-01 7.33585875e-01] [7.20340629e-01 2.79659371e-01 5.99747458e-01] [7.20340629e-01 4.40681259e-01 5.99747458e-01] [5.59318741e-01 2.79659371e-01 5.99747458e-01] [6.12992704e-01 3.87007296e-01 6.69192085e-02] [7.74014592e-01 3.87007296e-01 6.69192085e-02] [6.12992704e-01 2.25985408e-01 6.69192085e-02] [3.87007296e-01 6.12992704e-01 9.33080791e-01] [3.87007296e-01 7.74014592e-01 9.33080791e-01] [2.25985408e-01 6.12992704e-01 9.33080791e-01] [2.79659371e-01 7.20340629e-01 4.00252542e-01] [4.40681259e-01 7.20340629e-01 4.00252542e-01] [2.79659371e-01 5.59318741e-01 4.00252542e-01] [8.37548962e-01 1.62451038e-01 4.47259415e-01] [8.37548962e-01 6.75097923e-01 4.47259415e-01] [3.24902077e-01 1.62451038e-01 4.47259415e-01] [1.62451038e-01 8.37548962e-01 5.52740585e-01] [6.75097923e-01 8.37548962e-01 5.52740585e-01] [1.62451038e-01 3.24902077e-01 5.52740585e-01] [5.04215628e-01 4.95784372e-01 7.80592749e-01] [5.04215628e-01 8.43125660e-03 7.80592749e-01] [9.91568743e-01 4.95784372e-01 7.80592749e-01] [8.29117705e-01 1.70882295e-01 8.86073918e-01] [3.41764590e-01 1.70882295e-01 8.86073918e-01] [8.29117705e-01 6.58235410e-01 8.86073918e-01] [1.70882295e-01 8.29117705e-01 1.13926082e-01] [1.70882295e-01 3.41764590e-01 1.13926082e-01] [6.58235410e-01 8.29117705e-01 1.13926082e-01] [4.95784372e-01 5.04215628e-01 2.19407251e-01] [8.43125660e-03 5.04215628e-01 2.19407251e-01] [4.95784372e-01 9.91568743e-01 2.19407251e-01] [7.56128860e-01 2.43871140e-01 5.31558944e-01] [7.56128860e-01 5.12257720e-01 5.31558944e-01] [4.87742280e-01 2.43871140e-01 5.31558944e-01] [2.43871140e-01 7.56128860e-01 4.68441056e-01] [5.12257720e-01 7.56128860e-01 4.68441056e-01] [2.43871140e-01 4.87742280e-01 4.68441056e-01] [4.22795527e-01 5.77204473e-01 8.64892278e-01] [4.22795527e-01 8.45591054e-01 8.64892278e-01] [1.54408946e-01 5.77204473e-01 8.64892278e-01] [9.10537807e-01 8.94621935e-02 8.01774389e-01] [1.78924387e-01 8.94621935e-02 8.01774389e-01] [9.10537807e-01 8.21075613e-01 8.01774389e-01] [8.94621935e-02 9.10537807e-01 1.98225611e-01] [8.94621935e-02 1.78924387e-01 1.98225611e-01] [8.21075613e-01 9.10537807e-01 1.98225611e-01] [5.77204473e-01 4.22795527e-01 1.35107722e-01] [8.45591054e-01 4.22795527e-01 1.35107722e-01] [5.77204473e-01 1.54408946e-01 1.35107722e-01] [7.48425694e-01 2.51574306e-01 3.53811276e-01] [7.48425694e-01 4.96851387e-01 3.53811276e-01] [5.03148613e-01 2.51574306e-01 3.53811276e-01] [2.51574306e-01 7.48425694e-01 6.46188724e-01] [4.96851387e-01 7.48425694e-01 6.46188724e-01] [2.51574306e-01 5.03148613e-01 6.46188724e-01] [4.15092360e-01 5.84907640e-01 6.87144609e-01] [4.15092360e-01 8.30184721e-01 6.87144609e-01] [1.69815279e-01 5.84907640e-01 6.87144609e-01] [9.18240973e-01 8.17590270e-02 9.79522057e-01] [1.63518054e-01 8.17590270e-02 9.79522057e-01] [9.18240973e-01 8.36481946e-01 9.79522057e-01] [8.17590270e-02 9.18240973e-01 2.04779426e-02] [8.17590270e-02 1.63518054e-01 2.04779426e-02] [8.36481946e-01 9.18240973e-01 2.04779426e-02] [5.84907640e-01 4.15092360e-01 3.12855391e-01] [8.30184721e-01 4.15092360e-01 3.12855391e-01] [5.84907640e-01 1.69815279e-01 3.12855391e-01] [8.69952646e-01 1.30047354e-01 1.04310822e-01] [8.69952646e-01 7.39905291e-01 1.04310822e-01] [2.60094709e-01 1.30047354e-01 1.04310822e-01] [1.30047354e-01 8.69952646e-01 8.95689178e-01] [7.39905291e-01 8.69952646e-01 8.95689178e-01] [1.30047354e-01 2.60094709e-01 8.95689178e-01] [5.36619312e-01 4.63380688e-01 4.37644156e-01] [5.36619312e-01 7.32386248e-02 4.37644156e-01] [9.26761375e-01 4.63380688e-01 4.37644156e-01] [7.96714021e-01 2.03285979e-01 2.29022511e-01] [4.06571958e-01 2.03285979e-01 2.29022511e-01] [7.96714021e-01 5.93428042e-01 2.29022511e-01] [2.03285979e-01 7.96714021e-01 7.70977489e-01] [2.03285979e-01 4.06571958e-01 7.70977489e-01] [5.93428042e-01 7.96714021e-01 7.70977489e-01] [4.63380688e-01 5.36619312e-01 5.62355844e-01] [7.32386248e-02 5.36619312e-01 5.62355844e-01] [4.63380688e-01 9.26761375e-01 5.62355844e-01] [9.25544042e-01 7.44559584e-02 1.64527598e-01] [9.25544042e-01 8.51088083e-01 1.64527598e-01] [1.48911917e-01 7.44559584e-02 1.64527598e-01] [7.44559584e-02 9.25544042e-01 8.35472402e-01] [8.51088083e-01 9.25544042e-01 8.35472402e-01] [7.44559584e-02 1.48911917e-01 8.35472402e-01] [5.92210708e-01 4.07789292e-01 4.97860931e-01] [5.92210708e-01 1.84421417e-01 4.97860931e-01] [8.15578583e-01 4.07789292e-01 4.97860931e-01] [7.41122625e-01 2.58877375e-01 1.68805735e-01] [5.17754750e-01 2.58877375e-01 1.68805735e-01] [7.41122625e-01 4.82245250e-01 1.68805735e-01] [2.58877375e-01 7.41122625e-01 8.31194265e-01] [2.58877375e-01 5.17754750e-01 8.31194265e-01] [4.82245250e-01 7.41122625e-01 8.31194265e-01] [4.07789292e-01 5.92210708e-01 5.02139069e-01] [1.84421417e-01 5.92210708e-01 5.02139069e-01] [4.07789292e-01 8.15578583e-01 5.02139069e-01] [3.59935142e-04 1.68293671e-01 3.29526989e-01] [8.31706329e-01 8.32066265e-01 3.29526989e-01] [1.67933735e-01 9.99640065e-01 3.29526989e-01] [1.68293671e-01 3.59935142e-04 6.70473011e-01] [8.32066265e-01 8.31706329e-01 6.70473011e-01] [9.99640065e-01 1.67933735e-01 6.70473011e-01] [6.67026602e-01 5.01627004e-01 6.62860322e-01] [4.98372996e-01 1.65399598e-01 6.62860322e-01] [8.34600402e-01 3.32973398e-01 6.62860322e-01] [8.34960337e-01 3.33693268e-01 3.80634447e-03] [4.98732931e-01 1.65039663e-01 3.80634447e-03] [6.66306732e-01 5.01267069e-01 3.80634447e-03] [3.33693268e-01 8.34960337e-01 9.96193656e-01] [1.65039663e-01 4.98732931e-01 9.96193656e-01] [5.01267069e-01 6.66306732e-01 9.96193656e-01] [5.01627004e-01 6.67026602e-01 3.37139678e-01] [1.65399598e-01 4.98372996e-01 3.37139678e-01] [3.32973398e-01 8.34600402e-01 3.37139678e-01] [9.99640065e-01 8.31706329e-01 6.70473011e-01] [1.68293671e-01 1.67933735e-01 6.70473011e-01] [8.32066265e-01 3.59935142e-04 6.70473011e-01] [8.31706329e-01 9.99640065e-01 3.29526989e-01] [1.67933735e-01 1.68293671e-01 3.29526989e-01] 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7.54552290e-23 -1.90369978e-09 -9.29899817e-12] [ 1.64865237e-09 -9.51849889e-10 9.29899817e-12] [-7.54552290e-23 1.90369978e-09 9.29899817e-12] [-1.64865237e-09 -9.51849889e-10 9.29899817e-12] [-1.64865237e-09 9.51849889e-10 -9.29899817e-12] [ 1.64865237e-09 9.51849889e-10 -9.29899817e-12] [ 1.22605359e-22 -1.90369978e-09 -9.29899817e-12] [ 1.64865237e-09 -9.51849889e-10 9.29899817e-12] [-4.44868523e-26 1.90369978e-09 9.29899817e-12] [-1.64865237e-09 -9.51849889e-10 9.29899817e-12] [-1.64865237e-09 9.51849889e-10 -9.29899817e-12] [ 1.64865237e-09 9.51849889e-10 -9.29899817e-12] [ 3.06446251e-22 -1.90369978e-09 -9.29899817e-12] [ 6.76429983e-10 -3.90537033e-10 -3.43481591e-10] [ 2.62535507e-25 7.81074065e-10 -3.43481591e-10] [-6.76429983e-10 -3.90537033e-10 -3.43481591e-10] [-6.76429983e-10 3.90537033e-10 3.43481591e-10] [ 6.76429983e-10 3.90537033e-10 3.43481591e-10] [-1.40111953e-26 -7.81074065e-10 3.43481591e-10] [ 6.76429983e-10 -3.90537033e-10 -3.43481591e-10] [ 1.40111953e-26 7.81074065e-10 -3.43481591e-10] [-6.76429983e-10 -3.90537033e-10 -3.43481591e-10] [-6.76429983e-10 3.90537033e-10 3.43481591e-10] [ 6.76429983e-10 3.90537033e-10 3.43481591e-10] [-2.62535507e-25 -7.81074065e-10 3.43481591e-10] [ 6.76429983e-10 -3.90537033e-10 -3.43481591e-10] [-2.55069255e-25 7.81074065e-10 -3.43481591e-10] [-6.76429983e-10 -3.90537033e-10 -3.43481591e-10] [-6.76429983e-10 3.90537033e-10 3.43481591e-10] [ 6.76429983e-10 3.90537033e-10 3.43481591e-10] [-1.40111953e-26 -7.81074065e-10 3.43481591e-10] [-9.94765804e-10 5.74328305e-10 -1.67547780e-09] [ 2.00178753e-26 -1.14865661e-09 -1.67547780e-09] [ 9.94765804e-10 5.74328305e-10 -1.67547780e-09] [ 9.94765804e-10 -5.74328305e-10 1.67547780e-09] [-9.94765804e-10 -5.74328305e-10 1.67547780e-09] [-2.06256889e-25 1.14865661e-09 1.67547780e-09] [-9.94765804e-10 5.74328305e-10 -1.67547780e-09] [ 2.89098326e-25 -1.14865661e-09 -1.67547780e-09] [ 9.94765804e-10 5.74328305e-10 -1.67547780e-09] [ 9.94765804e-10 -5.74328305e-10 1.67547780e-09] [-9.94765804e-10 -5.74328305e-10 1.67547780e-09] [-1.23415452e-25 1.14865661e-09 1.67547780e-09] [-9.94765804e-10 5.74328305e-10 -1.67547780e-09] [ 1.23415452e-25 -1.14865661e-09 -1.67547780e-09] [ 9.94765804e-10 5.74328305e-10 -1.67547780e-09] [ 9.94765804e-10 -5.74328305e-10 1.67547780e-09] [-9.94765804e-10 -5.74328305e-10 1.67547780e-09] [-2.06256889e-25 1.14865661e-09 1.67547780e-09] [ 2.45639636e-10 -6.52038971e-10 -1.58665202e-10] [ 4.41862495e-10 5.38749651e-10 -1.58665202e-10] [-6.87502131e-10 1.13289320e-10 -1.58665202e-10] [-6.87502131e-10 -1.13289320e-10 1.58665202e-10] [ 2.45639636e-10 6.52038971e-10 1.58665202e-10] [ 4.41862495e-10 -5.38749651e-10 1.58665202e-10] [ 2.45639636e-10 -6.52038971e-10 -1.58665202e-10] [ 4.41862495e-10 5.38749651e-10 -1.58665202e-10] [-6.87502131e-10 1.13289320e-10 -1.58665202e-10] [-6.87502131e-10 -1.13289320e-10 1.58665202e-10] [ 2.45639636e-10 6.52038971e-10 1.58665202e-10] [ 4.41862495e-10 -5.38749651e-10 1.58665202e-10] [ 2.45639636e-10 -6.52038971e-10 -1.58665202e-10] [ 4.41862495e-10 5.38749651e-10 -1.58665202e-10] [-6.87502131e-10 1.13289320e-10 -1.58665202e-10] [-6.87502131e-10 -1.13289320e-10 1.58665202e-10] [ 2.45639636e-10 6.52038971e-10 1.58665202e-10] [ 4.41862495e-10 -5.38749651e-10 1.58665202e-10] [-2.45639636e-10 6.52038971e-10 1.58665202e-10] [-4.41862495e-10 -5.38749651e-10 1.58665202e-10] [ 6.87502131e-10 -1.13289320e-10 1.58665202e-10] [ 6.87502131e-10 1.13289320e-10 -1.58665202e-10] [-2.45639636e-10 -6.52038971e-10 -1.58665202e-10] [-4.41862495e-10 5.38749651e-10 -1.58665202e-10] [-2.45639636e-10 6.52038971e-10 1.58665202e-10] [-4.41862495e-10 -5.38749651e-10 1.58665202e-10] [ 6.87502131e-10 -1.13289320e-10 1.58665202e-10] [ 6.87502131e-10 1.13289320e-10 -1.58665202e-10] [-2.45639636e-10 -6.52038971e-10 -1.58665202e-10] [-4.41862495e-10 5.38749651e-10 -1.58665202e-10] [-2.45639636e-10 6.52038971e-10 1.58665202e-10] [-4.41862495e-10 -5.38749651e-10 1.58665202e-10] [ 6.87502131e-10 -1.13289320e-10 1.58665202e-10] [ 6.87502131e-10 1.13289320e-10 -1.58665202e-10] [-2.45639636e-10 -6.52038971e-10 -1.58665202e-10] [-4.41862495e-10 5.38749651e-10 -1.58665202e-10] [-1.34731506e-09 -4.71830516e-10 -1.18599589e-09] [ 1.08227474e-09 -9.30893812e-10 -1.18599589e-09] [ 2.65040318e-10 1.40272433e-09 -1.18599589e-09] [ 2.65040318e-10 -1.40272433e-09 1.18599589e-09] [-1.34731506e-09 4.71830516e-10 1.18599589e-09] [ 1.08227474e-09 9.30893812e-10 1.18599589e-09] [-1.34731506e-09 -4.71830516e-10 -1.18599589e-09] [ 1.08227474e-09 -9.30893812e-10 -1.18599589e-09] [ 2.65040318e-10 1.40272433e-09 -1.18599589e-09] [ 2.65040318e-10 -1.40272433e-09 1.18599589e-09] [-1.34731506e-09 4.71830516e-10 1.18599589e-09] [ 1.08227474e-09 9.30893812e-10 1.18599589e-09] [-1.34731506e-09 -4.71830516e-10 -1.18599589e-09] [ 1.08227474e-09 -9.30893812e-10 -1.18599589e-09] [ 2.65040318e-10 1.40272433e-09 -1.18599589e-09] [ 2.65040318e-10 -1.40272433e-09 1.18599589e-09] [-1.34731506e-09 4.71830516e-10 1.18599589e-09] [ 1.08227474e-09 9.30893812e-10 1.18599589e-09] [ 1.34731506e-09 4.71830516e-10 1.18599589e-09] [-1.08227474e-09 9.30893812e-10 1.18599589e-09] [-2.65040318e-10 -1.40272433e-09 1.18599589e-09] [-2.65040318e-10 1.40272433e-09 -1.18599589e-09] [ 1.34731506e-09 -4.71830516e-10 -1.18599589e-09] [-1.08227474e-09 -9.30893812e-10 -1.18599589e-09] [ 1.34731506e-09 4.71830516e-10 1.18599589e-09] [-1.08227474e-09 9.30893812e-10 1.18599589e-09] [-2.65040318e-10 -1.40272433e-09 1.18599589e-09] [-2.65040318e-10 1.40272433e-09 -1.18599589e-09] [ 1.34731506e-09 -4.71830516e-10 -1.18599589e-09] [-1.08227474e-09 -9.30893812e-10 -1.18599589e-09] [ 1.34731506e-09 4.71830516e-10 1.18599589e-09] [-1.08227474e-09 9.30893812e-10 1.18599589e-09] [-2.65040318e-10 -1.40272433e-09 1.18599589e-09] [-2.65040318e-10 1.40272433e-09 -1.18599589e-09] [ 1.34731506e-09 -4.71830516e-10 -1.18599589e-09] [-1.08227474e-09 -9.30893812e-10 -1.18599589e-09] [ 1.24262847e-09 -2.37015065e-10 1.60567960e-09] [-4.16053170e-10 1.19465536e-09 1.60567960e-09] [-8.26575304e-10 -9.57640294e-10 1.60567960e-09] [-8.26575304e-10 9.57640294e-10 -1.60567960e-09] [ 1.24262847e-09 2.37015065e-10 -1.60567960e-09] [-4.16053170e-10 -1.19465536e-09 -1.60567960e-09] [ 1.24262847e-09 -2.37015065e-10 1.60567960e-09] [-4.16053170e-10 1.19465536e-09 1.60567960e-09] [-8.26575304e-10 -9.57640294e-10 1.60567960e-09] [-8.26575304e-10 9.57640294e-10 -1.60567960e-09] [ 1.24262847e-09 2.37015065e-10 -1.60567960e-09] [-4.16053170e-10 -1.19465536e-09 -1.60567960e-09] [ 1.24262847e-09 -2.37015065e-10 1.60567960e-09] [-4.16053170e-10 1.19465536e-09 1.60567960e-09] [-8.26575304e-10 -9.57640294e-10 1.60567960e-09] [-8.26575304e-10 9.57640294e-10 -1.60567960e-09] [ 1.24262847e-09 2.37015065e-10 -1.60567960e-09] [-4.16053170e-10 -1.19465536e-09 -1.60567960e-09] [-1.24262847e-09 2.37015065e-10 -1.60567960e-09] [ 4.16053170e-10 -1.19465536e-09 -1.60567960e-09] [ 8.26575304e-10 9.57640294e-10 -1.60567960e-09] [ 8.26575304e-10 -9.57640294e-10 1.60567960e-09] [-1.24262847e-09 -2.37015065e-10 1.60567960e-09] [ 4.16053170e-10 1.19465536e-09 1.60567960e-09] [-1.24262847e-09 2.37015065e-10 -1.60567960e-09] [ 4.16053170e-10 -1.19465536e-09 -1.60567960e-09] [ 8.26575304e-10 9.57640294e-10 -1.60567960e-09] [ 8.26575304e-10 -9.57640294e-10 1.60567960e-09] [-1.24262847e-09 -2.37015065e-10 1.60567960e-09] [ 4.16053170e-10 1.19465536e-09 1.60567960e-09] [-1.24262847e-09 2.37015065e-10 -1.60567960e-09] [ 4.16053170e-10 -1.19465536e-09 -1.60567960e-09] [ 8.26575304e-10 9.57640294e-10 -1.60567960e-09] [ 8.26575304e-10 -9.57640294e-10 1.60567960e-09] [-1.24262847e-09 -2.37015065e-10 1.60567960e-09] [ 4.16053170e-10 1.19465536e-09 1.60567960e-09] [ 1.35056240e-10 -6.74076204e-10 -2.40570510e-10] [ 5.16238997e-10 4.54000237e-10 -2.40570510e-10] [-6.51295237e-10 2.20075967e-10 -2.40570510e-10] [-6.51295237e-10 -2.20075967e-10 2.40570510e-10] [ 1.35056240e-10 6.74076204e-10 2.40570510e-10] [ 5.16238997e-10 -4.54000237e-10 2.40570510e-10] [ 1.35056240e-10 -6.74076204e-10 -2.40570510e-10] [ 5.16238997e-10 4.54000237e-10 -2.40570510e-10] [-6.51295237e-10 2.20075967e-10 -2.40570510e-10] [-6.51295237e-10 -2.20075967e-10 2.40570510e-10] [ 1.35056240e-10 6.74076204e-10 2.40570510e-10] [ 5.16238997e-10 -4.54000237e-10 2.40570510e-10] [ 1.35056240e-10 -6.74076204e-10 -2.40570510e-10] [ 5.16238997e-10 4.54000237e-10 -2.40570510e-10] [-6.51295237e-10 2.20075967e-10 -2.40570510e-10] [-6.51295237e-10 -2.20075967e-10 2.40570510e-10] [ 1.35056240e-10 6.74076204e-10 2.40570510e-10] [ 5.16238997e-10 -4.54000237e-10 2.40570510e-10] [-1.35056240e-10 6.74076204e-10 2.40570510e-10] [-5.16238997e-10 -4.54000237e-10 2.40570510e-10] [ 6.51295237e-10 -2.20075967e-10 2.40570510e-10] [ 6.51295237e-10 2.20075967e-10 -2.40570510e-10] [-1.35056240e-10 -6.74076204e-10 -2.40570510e-10] [-5.16238997e-10 4.54000237e-10 -2.40570510e-10] [-1.35056240e-10 6.74076204e-10 2.40570510e-10] [-5.16238997e-10 -4.54000237e-10 2.40570510e-10] [ 6.51295237e-10 -2.20075967e-10 2.40570510e-10] [ 6.51295237e-10 2.20075967e-10 -2.40570510e-10] [-1.35056240e-10 -6.74076204e-10 -2.40570510e-10] [-5.16238997e-10 4.54000237e-10 -2.40570510e-10] [-1.35056240e-10 6.74076204e-10 2.40570510e-10] [-5.16238997e-10 -4.54000237e-10 2.40570510e-10] [ 6.51295237e-10 -2.20075967e-10 2.40570510e-10] [ 6.51295237e-10 2.20075967e-10 -2.40570510e-10] [-1.35056240e-10 -6.74076204e-10 -2.40570510e-10] [-5.16238997e-10 4.54000237e-10 -2.40570510e-10]] stress = [ 1.28411192e-10 1.28411192e-10 4.34207626e-12 -5.44283319e-27 -4.31974204e-29 -2.90318322e-26] energy per atom = -6.281509595057938 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0