element(s): ['Si'] AFLOW prototype label: A_cI82_217_acgh Parameter names: ['a', 'x2', 'x3', 'z3', 'x4', 'y4', 'z4'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['12.484', '0.60872638', '0.067937819', '0.29127613', '0.022996208', '0.36892608', '0.23626523'] model name: Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0.10872638 0.10872638 0.10872638] [0.06793782 0.06793782 0.29127613] [0.52299621 0.86892608 0.73626523]] spacegroup = 217 cell = [[12.484, 0, 0], [0, 12.484, 0], [0, 0, 12.484]] ========================================= Step Time Energy fmax BFGS: 0 16:20:22 1373.141747 21.098395 BFGS: 1 16:20:22 1368.895967 21.036010 BFGS: 2 16:20:22 1364.898451 20.974847 BFGS: 3 16:20:22 1361.058865 20.914445 BFGS: 4 16:20:22 1357.332097 20.855058 BFGS: 5 16:20:23 1353.690940 20.798056 BFGS: 6 16:20:23 1350.116918 20.741429 BFGS: 7 16:20:23 1346.597362 20.685089 BFGS: 8 16:20:23 1343.122869 20.628972 BFGS: 9 16:20:23 1339.686148 20.573027 BFGS: 10 16:20:23 1336.281206 20.518871 BFGS: 11 16:20:23 1332.902221 20.465716 BFGS: 12 16:20:23 1329.544647 20.412649 BFGS: 13 16:20:23 1326.204772 20.359633 BFGS: 14 16:20:23 1322.879289 20.306640 BFGS: 15 16:20:23 1319.565189 20.253641 BFGS: 16 16:20:23 1316.259701 20.200613 BFGS: 17 16:20:23 1312.960256 20.147533 BFGS: 18 16:20:23 1309.664480 20.094383 BFGS: 19 16:20:23 1306.370203 20.041142 BFGS: 20 16:20:23 1303.075489 19.987798 BFGS: 21 16:20:24 1299.778683 19.934337 BFGS: 22 16:20:24 1296.478460 19.880751 BFGS: 23 16:20:24 1293.173878 19.827037 BFGS: 24 16:20:24 1289.864416 19.773196 BFGS: 25 16:20:24 1286.549995 19.719236 BFGS: 26 16:20:24 1283.230949 19.665167 BFGS: 27 16:20:24 1279.907955 19.611005 BFGS: 28 16:20:24 1276.581892 19.556764 BFGS: 29 16:20:24 1273.253655 19.502487 BFGS: 30 16:20:24 1269.923983 19.448613 BFGS: 31 16:20:24 1266.593664 19.394699 BFGS: 32 16:20:25 1263.262998 19.340749 BFGS: 33 16:20:25 1259.931972 19.289124 BFGS: 34 16:20:25 1256.600353 19.239308 BFGS: 35 16:20:25 1253.268606 19.189520 BFGS: 36 16:20:26 1249.936771 19.139752 BFGS: 37 16:20:26 1246.604887 19.089997 BFGS: 38 16:20:27 1243.272983 19.040251 BFGS: 39 16:20:27 1239.941085 18.990511 BFGS: 40 16:20:28 1236.609205 18.940777 BFGS: 41 16:20:28 1233.277347 18.891047 BFGS: 42 16:20:28 1229.945537 18.842182 BFGS: 43 16:20:28 1226.614350 18.793847 BFGS: 44 16:20:29 1223.284073 18.745507 BFGS: 45 16:20:29 1219.954691 18.697161 BFGS: 46 16:20:29 1216.626171 18.648810 BFGS: 47 16:20:29 1213.298466 18.600455 BFGS: 48 16:20:29 1209.971511 18.552098 BFGS: 49 16:20:30 1206.644937 18.506199 BFGS: 50 16:20:30 1203.316155 18.460424 BFGS: 51 16:20:30 1199.985034 18.414619 BFGS: 52 16:20:30 1196.651574 18.368785 BFGS: 53 16:20:31 1193.315765 18.322922 BFGS: 54 16:20:31 1189.977580 18.277428 BFGS: 55 16:20:32 1186.636747 18.232916 BFGS: 56 16:20:32 1183.292906 18.188360 BFGS: 57 16:20:32 1179.946035 18.143765 BFGS: 58 16:20:33 1176.596091 18.099135 BFGS: 59 16:20:33 1173.243017 18.054471 BFGS: 60 16:20:33 1169.886737 18.009776 BFGS: 61 16:20:33 1166.527162 17.965052 BFGS: 62 16:20:33 1163.164188 17.920297 BFGS: 63 16:20:33 1159.797697 17.875514 BFGS: 64 16:20:33 1156.427557 17.830702 BFGS: 65 16:20:33 1153.053624 17.785859 BFGS: 66 16:20:34 1149.675738 17.740986 BFGS: 67 16:20:34 1146.293729 17.696081 BFGS: 68 16:20:34 1142.907414 17.651142 BFGS: 69 16:20:34 1139.516593 17.606169 BFGS: 70 16:20:34 1136.121058 17.561159 BFGS: 71 16:20:34 1132.720584 17.516110 BFGS: 72 16:20:35 1129.314932 17.471020 BFGS: 73 16:20:35 1125.903849 17.425886 BFGS: 74 16:20:35 1122.487068 17.380706 BFGS: 75 16:20:35 1119.064305 17.335476 BFGS: 76 16:20:35 1115.635258 17.290193 BFGS: 77 16:20:35 1112.199609 17.244854 BFGS: 78 16:20:35 1108.757020 17.199455 BFGS: 79 16:20:35 1105.307135 17.153992 BFGS: 80 16:20:35 1101.849573 17.108461 BFGS: 81 16:20:35 1098.383933 17.062857 BFGS: 82 16:20:35 1094.909786 17.017175 BFGS: 83 16:20:36 1091.426677 16.971410 BFGS: 84 16:20:36 1087.934123 16.925557 BFGS: 85 16:20:36 1084.431605 16.879609 BFGS: 86 16:20:36 1080.918572 16.833559 BFGS: 87 16:20:36 1077.394432 16.787402 BFGS: 88 16:20:36 1073.858550 16.741129 BFGS: 89 16:20:36 1070.310243 16.694732 BFGS: 90 16:20:36 1066.748777 16.648203 BFGS: 91 16:20:37 1063.173358 16.601533 BFGS: 92 16:20:37 1059.583124 16.554710 BFGS: 93 16:20:37 1055.977140 16.507725 BFGS: 94 16:20:38 1052.354386 16.460564 BFGS: 95 16:20:38 1048.713747 16.413215 BFGS: 96 16:20:38 1045.053997 16.365662 BFGS: 97 16:20:38 1041.373782 16.317890 BFGS: 98 16:20:39 1037.671602 16.269881 BFGS: 99 16:20:39 1033.945784 16.221615 BFGS: 100 16:20:39 1030.194450 16.173070 BFGS: 101 16:20:39 1026.415477 16.124220 BFGS: 102 16:20:39 1022.606445 16.075036 BFGS: 103 16:20:40 1018.764569 16.025485 BFGS: 104 16:20:40 1014.886609 15.975530 BFGS: 105 16:20:40 1010.968828 15.926424 BFGS: 106 16:20:40 1007.011015 15.880862 BFGS: 107 16:20:40 1003.033977 15.838029 BFGS: 108 16:20:40 999.028493 15.796813 BFGS: 109 16:20:41 994.987489 15.755277 BFGS: 110 16:20:41 990.900640 15.714947 BFGS: 111 16:20:41 986.824460 15.678037 BFGS: 112 16:20:41 982.759833 15.640907 BFGS: 113 16:20:41 978.708917 15.603579 BFGS: 114 16:20:41 974.673615 15.566071 BFGS: 115 16:20:42 970.655598 15.528397 BFGS: 116 16:20:42 966.656322 15.490572 BFGS: 117 16:20:42 962.677056 15.452607 BFGS: 118 16:20:42 958.718899 15.414515 BFGS: 119 16:20:42 954.782808 15.376303 BFGS: 120 16:20:42 950.869612 15.337981 BFGS: 121 16:20:43 946.980032 15.299557 BFGS: 122 16:20:43 943.114700 15.261037 BFGS: 123 16:20:43 939.274172 15.222428 BFGS: 124 16:20:43 935.458939 15.183735 BFGS: 125 16:20:43 931.669443 15.144964 BFGS: 126 16:20:43 927.906088 15.106120 BFGS: 127 16:20:43 924.169244 15.067206 BFGS: 128 16:20:43 920.459263 15.028228 BFGS: 129 16:20:43 916.776481 14.989189 BFGS: 130 16:20:43 913.121228 14.950093 BFGS: 131 16:20:44 909.493832 14.910942 BFGS: 132 16:20:44 905.894626 14.871741 BFGS: 133 16:20:44 902.323953 14.832492 BFGS: 134 16:20:44 898.782170 14.793198 BFGS: 135 16:20:44 895.269650 14.753861 BFGS: 136 16:20:44 891.786789 14.714484 BFGS: 137 16:20:44 888.334005 14.675070 BFGS: 138 16:20:44 884.911745 14.635620 BFGS: 139 16:20:44 881.520482 14.596138 BFGS: 140 16:20:45 878.160724 14.556625 BFGS: 141 16:20:45 874.833007 14.517083 BFGS: 142 16:20:45 871.537904 14.477514 BFGS: 143 16:20:45 868.276021 14.437921 BFGS: 144 16:20:45 865.047998 14.398305 BFGS: 145 16:20:45 861.854511 14.358669 BFGS: 146 16:20:45 858.696271 14.319013 BFGS: 147 16:20:45 855.574021 14.279341 BFGS: 148 16:20:46 852.488537 14.239654 BFGS: 149 16:20:46 849.440624 14.199954 BFGS: 150 16:20:46 846.431116 14.160243 BFGS: 151 16:20:46 843.460870 14.120523 BFGS: 152 16:20:46 840.530764 14.080797 BFGS: 153 16:20:46 837.641689 14.041066 BFGS: 154 16:20:46 834.794550 14.001333 BFGS: 155 16:20:46 831.990251 13.961600 BFGS: 156 16:20:46 829.229696 13.921870 BFGS: 157 16:20:46 826.513774 13.882217 BFGS: 158 16:20:47 823.843138 13.844199 BFGS: 159 16:20:47 821.220812 13.806280 BFGS: 160 16:20:47 818.647287 13.768462 BFGS: 161 16:20:47 816.122970 13.730745 BFGS: 162 16:20:47 813.648171 13.693130 BFGS: 163 16:20:47 811.223099 13.655617 BFGS: 164 16:20:47 808.847857 13.618206 BFGS: 165 16:20:47 806.522435 13.580899 BFGS: 166 16:20:47 804.246707 13.543694 BFGS: 167 16:20:48 802.020425 13.506593 BFGS: 168 16:20:48 799.843223 13.469593 BFGS: 169 16:20:48 797.714609 13.432696 BFGS: 170 16:20:48 795.633971 13.395900 BFGS: 171 16:20:48 793.600576 13.359203 BFGS: 172 16:20:48 791.613574 13.322604 BFGS: 173 16:20:48 789.672005 13.286101 BFGS: 174 16:20:48 787.774802 13.249693 BFGS: 175 16:20:49 785.920803 13.213376 BFGS: 176 16:20:49 784.108754 13.177148 BFGS: 177 16:20:49 782.336617 13.144603 BFGS: 178 16:20:49 780.601719 13.112689 BFGS: 179 16:20:49 778.902727 13.080822 BFGS: 180 16:20:49 777.238313 13.048994 BFGS: 181 16:20:49 775.607111 13.017197 BFGS: 182 16:20:50 774.007727 12.985424 BFGS: 183 16:20:50 772.438748 12.953668 BFGS: 184 16:20:50 770.898753 12.921923 BFGS: 185 16:20:50 769.386322 12.890182 BFGS: 186 16:20:50 767.900042 12.858440 BFGS: 187 16:20:50 766.438517 12.826691 BFGS: 188 16:20:50 765.000371 12.794931 BFGS: 189 16:20:50 763.584254 12.763153 BFGS: 190 16:20:50 762.188848 12.731354 BFGS: 191 16:20:50 760.812868 12.699529 BFGS: 192 16:20:51 759.455066 12.667673 BFGS: 193 16:20:51 758.114233 12.635782 BFGS: 194 16:20:51 756.789197 12.603853 BFGS: 195 16:20:51 755.478829 12.571881 BFGS: 196 16:20:51 754.182037 12.539862 BFGS: 197 16:20:51 752.897771 12.507792 BFGS: 198 16:20:51 751.625021 12.475668 BFGS: 199 16:20:51 750.362815 12.443486 BFGS: 200 16:20:51 749.110218 12.411242 BFGS: 201 16:20:51 747.866334 12.378933 BFGS: 202 16:20:51 746.630304 12.346555 BFGS: 203 16:20:51 745.401304 12.314104 BFGS: 204 16:20:52 744.178545 12.281576 BFGS: 205 16:20:52 742.961272 12.248968 BFGS: 206 16:20:52 741.748765 12.216276 BFGS: 207 16:20:52 740.540336 12.183497 BFGS: 208 16:20:52 739.335332 12.150625 BFGS: 209 16:20:52 738.133128 12.117658 BFGS: 210 16:20:52 736.933316 12.086369 BFGS: 211 16:20:52 735.736166 12.055991 BFGS: 212 16:20:52 734.541267 12.025522 BFGS: 213 16:20:52 733.348052 11.994957 BFGS: 214 16:20:52 732.155990 11.964289 BFGS: 215 16:20:53 730.964584 11.933515 BFGS: 216 16:20:53 729.773343 11.903243 BFGS: 217 16:20:53 728.581520 11.874677 BFGS: 218 16:20:53 727.389013 11.845960 BFGS: 219 16:20:53 726.195488 11.817089 BFGS: 220 16:20:53 725.000634 11.788061 BFGS: 221 16:20:53 723.804159 11.758873 BFGS: 222 16:20:54 722.605793 11.729522 BFGS: 223 16:20:54 721.405287 11.700005 BFGS: 224 16:20:54 720.202409 11.670319 BFGS: 225 16:20:54 718.996950 11.640462 BFGS: 226 16:20:54 717.788715 11.610431 BFGS: 227 16:20:54 716.577530 11.580222 BFGS: 228 16:20:55 715.362467 11.553476 BFGS: 229 16:20:55 714.142995 11.527765 BFGS: 230 16:20:55 712.919432 11.501898 BFGS: 231 16:20:55 711.691707 11.475862 BFGS: 232 16:20:55 710.459774 11.449648 BFGS: 233 16:20:56 709.223607 11.423246 BFGS: 234 16:20:56 707.983194 11.396651 BFGS: 235 16:20:56 706.738529 11.369856 BFGS: 236 16:20:56 705.489618 11.342856 BFGS: 237 16:20:56 704.236467 11.315646 BFGS: 238 16:20:57 702.979088 11.288223 BFGS: 239 16:20:57 701.717494 11.260583 BFGS: 240 16:20:57 700.451700 11.232722 BFGS: 241 16:20:57 699.181719 11.204638 BFGS: 242 16:20:57 697.907567 11.176329 BFGS: 243 16:20:57 696.628099 11.152222 BFGS: 244 16:20:57 695.344276 11.128214 BFGS: 245 16:20:58 694.056343 11.104057 BFGS: 246 16:20:58 692.764409 11.079744 BFGS: 247 16:20:58 691.468566 11.055267 BFGS: 248 16:20:58 690.168894 11.030619 BFGS: 249 16:20:58 688.865464 11.005797 BFGS: 250 16:20:58 687.558336 10.980795 BFGS: 251 16:20:58 686.247563 10.955610 BFGS: 252 16:20:58 684.933190 10.930238 BFGS: 253 16:20:58 683.615254 10.904675 BFGS: 254 16:20:58 682.293789 10.878919 BFGS: 255 16:20:58 680.968819 10.852966 BFGS: 256 16:20:58 679.640365 10.826816 BFGS: 257 16:20:58 678.308441 10.800465 BFGS: 258 16:20:59 676.973058 10.773911 BFGS: 259 16:20:59 675.634227 10.747408 BFGS: 260 16:20:59 674.293054 10.723314 BFGS: 261 16:20:59 672.949892 10.698974 BFGS: 262 16:20:59 671.603773 10.677143 BFGS: 263 16:20:59 670.251013 10.659315 BFGS: 264 16:20:59 668.894507 10.641242 BFGS: 265 16:20:59 667.534516 10.622932 BFGS: 266 16:20:59 666.171198 10.604392 BFGS: 267 16:21:00 664.804662 10.585626 BFGS: 268 16:21:00 663.434987 10.566638 BFGS: 269 16:21:00 662.062232 10.547430 BFGS: 270 16:21:00 660.686443 10.528003 BFGS: 271 16:21:00 659.307651 10.508359 BFGS: 272 16:21:00 657.925879 10.488498 BFGS: 273 16:21:01 656.541137 10.468419 BFGS: 274 16:21:01 655.153426 10.448124 BFGS: 275 16:21:01 653.762737 10.427612 BFGS: 276 16:21:01 652.369051 10.406882 BFGS: 277 16:21:01 650.972339 10.385934 BFGS: 278 16:21:01 649.572565 10.364766 BFGS: 279 16:21:01 648.169685 10.343379 BFGS: 280 16:21:02 646.763647 10.321771 BFGS: 281 16:21:02 645.354390 10.299941 BFGS: 282 16:21:02 643.941849 10.277889 BFGS: 283 16:21:02 642.525955 10.255612 BFGS: 284 16:21:02 641.106631 10.233110 BFGS: 285 16:21:02 639.683798 10.210382 BFGS: 286 16:21:03 638.257374 10.187427 BFGS: 287 16:21:03 636.827275 10.164243 BFGS: 288 16:21:03 635.393413 10.140830 BFGS: 289 16:21:03 633.955703 10.117185 BFGS: 290 16:21:03 632.514059 10.093309 BFGS: 291 16:21:03 631.068394 10.069200 BFGS: 292 16:21:03 629.618624 10.044857 BFGS: 293 16:21:04 628.163870 10.022816 BFGS: 294 16:21:04 626.703679 10.001832 BFGS: 295 16:21:04 625.238897 9.980635 BFGS: 296 16:21:04 623.769450 9.959221 BFGS: 297 16:21:04 622.295262 9.937589 BFGS: 298 16:21:04 620.816260 9.915734 BFGS: 299 16:21:04 619.332371 9.893654 BFGS: 300 16:21:05 617.843528 9.871347 BFGS: 301 16:21:05 616.349667 9.848811 BFGS: 302 16:21:05 614.850727 9.826044 BFGS: 303 16:21:05 613.346653 9.803043 BFGS: 304 16:21:05 611.837396 9.779808 BFGS: 305 16:21:05 610.322912 9.756336 BFGS: 306 16:21:05 608.803165 9.732627 BFGS: 307 16:21:06 607.278124 9.708679 BFGS: 308 16:21:06 605.747766 9.684491 BFGS: 309 16:21:06 604.212075 9.660062 BFGS: 310 16:21:06 602.671045 9.635392 BFGS: 311 16:21:06 601.124676 9.610480 BFGS: 312 16:21:06 599.572978 9.585326 BFGS: 313 16:21:07 598.015968 9.559930 BFGS: 314 16:21:07 596.453676 9.534291 BFGS: 315 16:21:07 594.886138 9.508411 BFGS: 316 16:21:07 593.313086 9.484515 BFGS: 317 16:21:07 591.733380 9.464411 BFGS: 318 16:21:07 590.150343 9.444109 BFGS: 319 16:21:07 588.563807 9.423609 BFGS: 320 16:21:08 586.973661 9.402910 BFGS: 321 16:21:08 585.379833 9.382012 BFGS: 322 16:21:08 583.782284 9.360913 BFGS: 323 16:21:08 582.180999 9.339615 BFGS: 324 16:21:08 580.575983 9.318118 BFGS: 325 16:21:08 578.967256 9.296423 BFGS: 326 16:21:08 577.354854 9.274530 BFGS: 327 16:21:08 575.738823 9.252439 BFGS: 328 16:21:09 574.119220 9.230152 BFGS: 329 16:21:09 572.496111 9.207670 BFGS: 330 16:21:09 570.869569 9.184995 BFGS: 331 16:21:09 569.239674 9.162126 BFGS: 332 16:21:09 567.606516 9.139066 BFGS: 333 16:21:09 565.970186 9.115816 BFGS: 334 16:21:09 564.330784 9.092378 BFGS: 335 16:21:09 562.688414 9.068753 BFGS: 336 16:21:09 561.043186 9.044943 BFGS: 337 16:21:09 559.395212 9.020950 BFGS: 338 16:21:10 557.744612 8.996776 BFGS: 339 16:21:10 556.091508 8.972422 BFGS: 340 16:21:10 554.436024 8.947891 BFGS: 341 16:21:10 552.778291 8.923185 BFGS: 342 16:21:10 551.118442 8.898307 BFGS: 343 16:21:10 549.456612 8.873257 BFGS: 344 16:21:10 547.792940 8.848039 BFGS: 345 16:21:10 546.127567 8.822656 BFGS: 346 16:21:10 544.460637 8.797109 BFGS: 347 16:21:10 542.792295 8.771401 BFGS: 348 16:21:11 541.122690 8.745534 BFGS: 349 16:21:11 539.451971 8.719512 BFGS: 350 16:21:11 537.780288 8.693336 BFGS: 351 16:21:11 536.107793 8.667010 BFGS: 352 16:21:11 534.434639 8.640535 BFGS: 353 16:21:11 532.760979 8.613916 BFGS: 354 16:21:11 531.086967 8.587154 BFGS: 355 16:21:11 529.412757 8.560253 BFGS: 356 16:21:11 527.738503 8.533214 BFGS: 357 16:21:11 526.064358 8.506041 BFGS: 358 16:21:12 524.390475 8.478737 BFGS: 359 16:21:12 522.717005 8.451305 BFGS: 360 16:21:12 521.044102 8.423746 BFGS: 361 16:21:12 519.371913 8.396065 BFGS: 362 16:21:12 517.700640 8.368892 BFGS: 363 16:21:12 516.032445 8.344674 BFGS: 364 16:21:12 514.367177 8.320351 BFGS: 365 16:21:12 512.704983 8.295924 BFGS: 366 16:21:12 511.046017 8.271395 BFGS: 367 16:21:13 509.390435 8.246766 BFGS: 368 16:21:13 507.738395 8.222038 BFGS: 369 16:21:13 506.090054 8.197213 BFGS: 370 16:21:13 504.445571 8.172294 BFGS: 371 16:21:13 502.804427 8.150450 BFGS: 372 16:21:13 501.167501 8.128940 BFGS: 373 16:21:13 499.535022 8.108920 BFGS: 374 16:21:13 497.907041 8.089719 BFGS: 375 16:21:13 496.283917 8.070429 BFGS: 376 16:21:14 494.665772 8.051044 BFGS: 377 16:21:14 493.052714 8.031565 BFGS: 378 16:21:14 491.444839 8.011991 BFGS: 379 16:21:14 489.842237 7.992320 BFGS: 380 16:21:14 488.244988 7.972555 BFGS: 381 16:21:14 486.653163 7.952694 BFGS: 382 16:21:14 485.066831 7.932739 BFGS: 383 16:21:14 483.486052 7.912691 BFGS: 384 16:21:14 481.910882 7.892551 BFGS: 385 16:21:15 480.341375 7.872322 BFGS: 386 16:21:15 478.777578 7.852004 BFGS: 387 16:21:15 477.219537 7.831598 BFGS: 388 16:21:15 475.667295 7.811107 BFGS: 389 16:21:15 474.120890 7.790532 BFGS: 390 16:21:15 472.580360 7.769875 BFGS: 391 16:21:15 471.045738 7.749137 BFGS: 392 16:21:15 469.517059 7.728320 BFGS: 393 16:21:15 467.994351 7.707426 BFGS: 394 16:21:15 466.477643 7.686456 BFGS: 395 16:21:16 464.966963 7.665411 BFGS: 396 16:21:16 463.462335 7.644294 BFGS: 397 16:21:16 461.963783 7.623106 BFGS: 398 16:21:16 460.471329 7.601848 BFGS: 399 16:21:16 458.984995 7.580522 BFGS: 400 16:21:16 457.504799 7.559130 BFGS: 401 16:21:16 456.030761 7.537672 BFGS: 402 16:21:16 454.562899 7.516150 BFGS: 403 16:21:16 453.101229 7.494565 BFGS: 404 16:21:17 451.645767 7.472920 BFGS: 405 16:21:17 450.196528 7.451214 BFGS: 406 16:21:17 448.753528 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BFGS: 1809 16:23:33 6.493004 0.483503 BFGS: 1810 16:23:33 6.451084 0.480196 BFGS: 1811 16:23:33 6.409293 0.476899 BFGS: 1812 16:23:33 6.367621 0.473612 BFGS: 1813 16:23:33 6.326062 0.470334 BFGS: 1814 16:23:33 6.284606 0.467065 BFGS: 1815 16:23:33 6.243247 0.463805 BFGS: 1816 16:23:34 6.201977 0.460554 BFGS: 1817 16:23:34 6.160790 0.457312 BFGS: 1818 16:23:34 6.119679 0.454078 BFGS: 1819 16:23:34 6.078637 0.450852 BFGS: 1820 16:23:34 6.037659 0.447634 BFGS: 1821 16:23:34 5.996739 0.444424 BFGS: 1822 16:23:34 5.955873 0.441222 BFGS: 1823 16:23:34 5.915055 0.438028 BFGS: 1824 16:23:34 5.874281 0.434842 BFGS: 1825 16:23:35 5.833547 0.431663 BFGS: 1826 16:23:35 5.792849 0.428491 BFGS: 1827 16:23:35 5.752184 0.425327 BFGS: 1828 16:23:35 5.711549 0.422170 BFGS: 1829 16:23:35 5.670940 0.419020 BFGS: 1830 16:23:35 5.630356 0.415878 BFGS: 1831 16:23:35 5.589794 0.412742 BFGS: 1832 16:23:35 5.549252 0.409613 BFGS: 1833 16:23:35 5.508729 0.406491 BFGS: 1834 16:23:35 5.468222 0.403376 BFGS: 1835 16:23:35 5.427731 0.400267 BFGS: 1836 16:23:35 5.387254 0.397165 BFGS: 1837 16:23:36 5.346791 0.394070 BFGS: 1838 16:23:36 5.306340 0.390981 BFGS: 1839 16:23:36 5.265900 0.387898 BFGS: 1840 16:23:36 5.225472 0.384822 BFGS: 1841 16:23:36 5.185055 0.381753 BFGS: 1842 16:23:36 5.144648 0.378690 BFGS: 1843 16:23:36 5.104251 0.375633 BFGS: 1844 16:23:36 5.063863 0.372582 BFGS: 1845 16:23:36 5.023486 0.369538 BFGS: 1846 16:23:36 4.983119 0.366501 BFGS: 1847 16:23:36 4.942761 0.363470 BFGS: 1848 16:23:37 4.902413 0.360446 BFGS: 1849 16:23:37 4.862076 0.358777 BFGS: 1850 16:23:37 4.821749 0.357224 BFGS: 1851 16:23:37 4.781433 0.355665 BFGS: 1852 16:23:37 4.741128 0.354101 BFGS: 1853 16:23:37 4.700835 0.352532 BFGS: 1854 16:23:37 4.660555 0.350958 BFGS: 1855 16:23:37 4.620287 0.349378 BFGS: 1856 16:23:37 4.580033 0.347792 BFGS: 1857 16:23:37 4.539792 0.346202 BFGS: 1858 16:23:37 4.499567 0.344605 BFGS: 1859 16:23:37 4.459358 0.343003 BFGS: 1860 16:23:38 4.419164 0.341396 BFGS: 1861 16:23:38 4.378989 0.339782 BFGS: 1862 16:23:38 4.338832 0.338163 BFGS: 1863 16:23:38 4.298694 0.336538 BFGS: 1864 16:23:38 4.258576 0.334908 BFGS: 1865 16:23:38 4.218480 0.333271 BFGS: 1866 16:23:38 4.178407 0.331629 BFGS: 1867 16:23:38 4.138357 0.329981 BFGS: 1868 16:23:38 4.098332 0.328327 BFGS: 1869 16:23:38 4.058334 0.326667 BFGS: 1870 16:23:38 4.018364 0.325001 BFGS: 1871 16:23:39 3.978422 0.323328 BFGS: 1872 16:23:39 3.938511 0.321650 BFGS: 1873 16:23:39 3.898632 0.319966 BFGS: 1874 16:23:39 3.858786 0.318275 BFGS: 1875 16:23:39 3.818975 0.316578 BFGS: 1876 16:23:39 3.779201 0.314875 BFGS: 1877 16:23:39 3.739466 0.313166 BFGS: 1878 16:23:39 3.699770 0.311450 BFGS: 1879 16:23:39 3.660117 0.309728 BFGS: 1880 16:23:39 3.620507 0.308000 BFGS: 1881 16:23:39 3.580942 0.306265 BFGS: 1882 16:23:39 3.541425 0.304524 BFGS: 1883 16:23:40 3.501958 0.302776 BFGS: 1884 16:23:40 3.462542 0.301021 BFGS: 1885 16:23:40 3.423179 0.299260 BFGS: 1886 16:23:40 3.383873 0.297493 BFGS: 1887 16:23:40 3.344624 0.295719 BFGS: 1888 16:23:40 3.305435 0.293938 BFGS: 1889 16:23:40 3.266309 0.292151 BFGS: 1890 16:23:40 3.227247 0.290357 BFGS: 1891 16:23:40 3.188253 0.288556 BFGS: 1892 16:23:40 3.149328 0.286748 BFGS: 1893 16:23:40 3.110475 0.284934 BFGS: 1894 16:23:40 3.071697 0.283112 BFGS: 1895 16:23:41 3.032996 0.281284 BFGS: 1896 16:23:41 2.994375 0.279449 BFGS: 1897 16:23:41 2.955836 0.277607 BFGS: 1898 16:23:41 2.917383 0.275759 BFGS: 1899 16:23:41 2.879018 0.273903 BFGS: 1900 16:23:41 2.840744 0.272040 BFGS: 1901 16:23:41 2.802564 0.270170 BFGS: 1902 16:23:41 2.764481 0.268293 BFGS: 1903 16:23:41 2.726497 0.266410 BFGS: 1904 16:23:41 2.688617 0.264519 BFGS: 1905 16:23:41 2.650843 0.262621 BFGS: 1906 16:23:41 2.613178 0.260716 BFGS: 1907 16:23:42 2.575626 0.258804 BFGS: 1908 16:23:42 2.538189 0.256884 BFGS: 1909 16:23:42 2.500872 0.254958 BFGS: 1910 16:23:42 2.463677 0.253024 BFGS: 1911 16:23:42 2.426609 0.251084 BFGS: 1912 16:23:42 2.389670 0.249136 BFGS: 1913 16:23:42 2.352864 0.247180 BFGS: 1914 16:23:42 2.316194 0.245218 BFGS: 1915 16:23:42 2.279665 0.243248 BFGS: 1916 16:23:42 2.243280 0.241271 BFGS: 1917 16:23:42 2.207043 0.239287 BFGS: 1918 16:23:43 2.170957 0.237296 BFGS: 1919 16:23:43 2.135027 0.235297 BFGS: 1920 16:23:43 2.099256 0.233291 BFGS: 1921 16:23:43 2.063649 0.231278 BFGS: 1922 16:23:43 2.028209 0.229257 BFGS: 1923 16:23:43 1.992940 0.227230 BFGS: 1924 16:23:43 1.957847 0.225194 BFGS: 1925 16:23:43 1.922933 0.223152 BFGS: 1926 16:23:43 1.888203 0.221782 BFGS: 1927 16:23:43 1.853662 0.221806 BFGS: 1928 16:23:43 1.819312 0.221836 BFGS: 1929 16:23:43 1.785160 0.221872 BFGS: 1930 16:23:44 1.751208 0.221914 BFGS: 1931 16:23:44 1.717580 0.221961 BFGS: 1932 16:23:44 1.685522 0.222687 BFGS: 1933 16:23:44 1.654713 0.223572 BFGS: 1934 16:23:44 1.624661 0.223950 BFGS: 1935 16:23:44 1.595234 0.223827 BFGS: 1936 16:23:44 1.566371 0.223310 BFGS: 1937 16:23:44 1.538031 0.222497 BFGS: 1938 16:23:44 1.510191 0.221467 BFGS: 1939 16:23:44 1.482835 0.220277 BFGS: 1940 16:23:44 1.455951 0.218969 BFGS: 1941 16:23:44 1.429533 0.217573 BFGS: 1942 16:23:45 1.403578 0.216111 BFGS: 1943 16:23:45 1.378083 0.214597 BFGS: 1944 16:23:45 1.353048 0.213043 BFGS: 1945 16:23:45 1.328473 0.211455 BFGS: 1946 16:23:45 1.304359 0.209839 BFGS: 1947 16:23:45 1.280707 0.208200 BFGS: 1948 16:23:45 1.257517 0.206539 BFGS: 1949 16:23:45 1.234793 0.204858 BFGS: 1950 16:23:45 1.212535 0.203159 BFGS: 1951 16:23:45 1.190745 0.201443 BFGS: 1952 16:23:45 1.169426 0.199709 BFGS: 1953 16:23:45 1.148578 0.197958 BFGS: 1954 16:23:46 1.128205 0.196191 BFGS: 1955 16:23:46 1.108307 0.194407 BFGS: 1956 16:23:46 1.088886 0.192606 BFGS: 1957 16:23:46 1.069944 0.190788 BFGS: 1958 16:23:46 1.051483 0.188953 BFGS: 1959 16:23:46 1.033504 0.187101 BFGS: 1960 16:23:46 1.016009 0.185231 BFGS: 1961 16:23:46 0.999000 0.183343 BFGS: 1962 16:23:46 0.982477 0.181437 BFGS: 1963 16:23:46 0.966442 0.179839 BFGS: 1964 16:23:46 0.950897 0.181615 BFGS: 1965 16:23:46 0.935842 0.183412 BFGS: 1966 16:23:46 0.921279 0.185229 BFGS: 1967 16:23:47 0.907208 0.187066 BFGS: 1968 16:23:47 0.893631 0.188922 BFGS: 1969 16:23:47 0.880547 0.190797 BFGS: 1970 16:23:47 0.867958 0.192690 BFGS: 1971 16:23:47 0.855863 0.194600 BFGS: 1972 16:23:47 0.844263 0.196527 BFGS: 1973 16:23:47 0.833158 0.198470 BFGS: 1974 16:23:47 0.822547 0.200429 BFGS: 1975 16:23:47 0.812429 0.202401 BFGS: 1976 16:23:47 0.802804 0.204387 BFGS: 1977 16:23:47 0.793670 0.206386 BFGS: 1978 16:23:47 0.785026 0.208396 BFGS: 1979 16:23:47 0.776869 0.210416 BFGS: 1980 16:23:48 0.769195 0.212445 BFGS: 1981 16:23:48 0.762003 0.214481 BFGS: 1982 16:23:48 0.755286 0.216522 BFGS: 1983 16:23:48 0.749040 0.218567 BFGS: 1984 16:23:48 0.743258 0.220612 BFGS: 1985 16:23:48 0.737931 0.222657 BFGS: 1986 16:23:48 0.733049 0.224696 BFGS: 1987 16:23:48 0.728599 0.226726 BFGS: 1988 16:23:48 0.724565 0.228743 BFGS: 1989 16:23:48 0.720926 0.230741 BFGS: 1990 16:23:48 0.717655 0.232711 BFGS: 1991 16:23:48 0.714717 0.234645 BFGS: 1992 16:23:48 0.712067 0.236529 BFGS: 1993 16:23:49 0.709642 0.238345 BFGS: 1994 16:23:49 0.707360 0.240072 BFGS: 1995 16:23:49 0.705111 0.241677 BFGS: 1996 16:23:49 0.702703 0.240935 BFGS: 1997 16:23:49 0.700095 0.238936 BFGS: 1998 16:23:49 0.697422 0.237079 BFGS: 1999 16:23:49 0.694696 0.235379 BFGS: 2000 16:23:49 0.691929 0.233806 BFGS: 2001 16:23:49 0.689132 0.232335 BFGS: 2002 16:23:49 0.686312 0.230947 BFGS: 2003 16:23:49 0.683474 0.229626 BFGS: 2004 16:23:49 0.680622 0.228363 BFGS: 2005 16:23:50 0.677760 0.227148 BFGS: 2006 16:23:50 0.674890 0.225975 BFGS: 2007 16:23:50 0.672015 0.224838 BFGS: 2008 16:23:50 0.669136 0.223732 BFGS: 2009 16:23:50 0.666255 0.222653 BFGS: 2010 16:23:50 0.663374 0.221598 BFGS: 2011 16:23:50 0.660493 0.220564 BFGS: 2012 16:23:50 0.657614 0.219549 BFGS: 2013 16:23:50 0.654739 0.218550 BFGS: 2014 16:23:50 0.651867 0.217566 BFGS: 2015 16:23:50 0.648999 0.216595 BFGS: 2016 16:23:50 0.646137 0.215636 BFGS: 2017 16:23:50 0.643280 0.214688 BFGS: 2018 16:23:50 0.640430 0.213749 BFGS: 2019 16:23:51 0.637587 0.212819 BFGS: 2020 16:23:51 0.634750 0.211896 BFGS: 2021 16:23:51 0.631922 0.210982 BFGS: 2022 16:23:51 0.629101 0.210074 BFGS: 2023 16:23:51 0.626287 0.209172 BFGS: 2024 16:23:51 0.623482 0.208276 BFGS: 2025 16:23:51 0.620686 0.207386 BFGS: 2026 16:23:51 0.617897 0.206501 BFGS: 2027 16:23:51 0.615118 0.205621 BFGS: 2028 16:23:51 0.612346 0.204746 BFGS: 2029 16:23:51 0.609583 0.203876 BFGS: 2030 16:23:51 0.606829 0.203010 BFGS: 2031 16:23:51 0.604083 0.202148 BFGS: 2032 16:23:52 0.601346 0.201291 BFGS: 2033 16:23:52 0.598617 0.200438 BFGS: 2034 16:23:52 0.595896 0.199589 BFGS: 2035 16:23:52 0.593183 0.198744 BFGS: 2036 16:23:52 0.590479 0.197904 BFGS: 2037 16:23:52 0.587782 0.197067 BFGS: 2038 16:23:52 0.585093 0.196234 BFGS: 2039 16:23:52 0.582412 0.195406 BFGS: 2040 16:23:52 0.579739 0.194582 BFGS: 2041 16:23:52 0.577072 0.193761 BFGS: 2042 16:23:52 0.574413 0.192945 BFGS: 2043 16:23:53 0.571761 0.192133 BFGS: 2044 16:23:53 0.569116 0.191325 BFGS: 2045 16:23:53 0.566477 0.190521 BFGS: 2046 16:23:53 0.563845 0.189721 BFGS: 2047 16:23:53 0.561219 0.188925 BFGS: 2048 16:23:53 0.558599 0.188134 BFGS: 2049 16:23:53 0.555985 0.187347 BFGS: 2050 16:23:53 0.553376 0.186564 BFGS: 2051 16:23:53 0.550772 0.185786 BFGS: 2052 16:23:53 0.548174 0.185012 BFGS: 2053 16:23:53 0.545581 0.184242 BFGS: 2054 16:23:53 0.542992 0.183477 BFGS: 2055 16:23:53 0.540407 0.182717 BFGS: 2056 16:23:54 0.537827 0.181960 BFGS: 2057 16:23:54 0.535251 0.181209 BFGS: 2058 16:23:54 0.532678 0.180461 BFGS: 2059 16:23:54 0.530109 0.179719 BFGS: 2060 16:23:54 0.527543 0.178981 BFGS: 2061 16:23:54 0.524980 0.178247 BFGS: 2062 16:23:54 0.522420 0.177519 BFGS: 2063 16:23:54 0.519863 0.176794 BFGS: 2064 16:23:54 0.517307 0.176075 BFGS: 2065 16:23:54 0.514753 0.175360 BFGS: 2066 16:23:54 0.512202 0.174650 BFGS: 2067 16:23:54 0.509651 0.173944 BFGS: 2068 16:23:54 0.507102 0.173243 BFGS: 2069 16:23:55 0.504554 0.172547 BFGS: 2070 16:23:55 0.502007 0.171856 BFGS: 2071 16:23:55 0.499460 0.171169 BFGS: 2072 16:23:55 0.496914 0.170487 BFGS: 2073 16:23:55 0.494367 0.169809 BFGS: 2074 16:23:55 0.491821 0.169136 BFGS: 2075 16:23:55 0.489274 0.168468 BFGS: 2076 16:23:55 0.486727 0.167804 BFGS: 2077 16:23:55 0.484179 0.167145 BFGS: 2078 16:23:55 0.481630 0.166491 BFGS: 2079 16:23:55 0.479079 0.165841 BFGS: 2080 16:23:55 0.476528 0.165196 BFGS: 2081 16:23:55 0.473975 0.164555 BFGS: 2082 16:23:56 0.471420 0.163919 BFGS: 2083 16:23:56 0.468863 0.163288 BFGS: 2084 16:23:56 0.466305 0.162661 BFGS: 2085 16:23:56 0.463744 0.162039 BFGS: 2086 16:23:56 0.461181 0.161422 BFGS: 2087 16:23:56 0.458615 0.160809 BFGS: 2088 16:23:56 0.456047 0.160201 BFGS: 2089 16:23:56 0.453476 0.159598 BFGS: 2090 16:23:56 0.450903 0.158999 BFGS: 2091 16:23:56 0.448326 0.158406 BFGS: 2092 16:23:56 0.445746 0.157817 BFGS: 2093 16:23:56 0.443163 0.157233 BFGS: 2094 16:23:57 0.440577 0.156653 BFGS: 2095 16:23:57 0.437987 0.156079 BFGS: 2096 16:23:57 0.435394 0.155501 BFGS: 2097 16:23:57 0.432797 0.154928 BFGS: 2098 16:23:57 0.430196 0.154372 BFGS: 2099 16:23:57 0.427592 0.153826 BFGS: 2100 16:23:57 0.424987 0.153288 BFGS: 2101 16:23:57 0.422379 0.152754 BFGS: 2102 16:23:57 0.419769 0.152223 BFGS: 2103 16:23:57 0.417157 0.151696 BFGS: 2104 16:23:57 0.414544 0.151171 BFGS: 2105 16:23:57 0.411929 0.150649 BFGS: 2106 16:23:58 0.409311 0.150130 BFGS: 2107 16:23:58 0.406692 0.149613 BFGS: 2108 16:23:58 0.404071 0.149100 BFGS: 2109 16:23:58 0.401447 0.148590 BFGS: 2110 16:23:58 0.398821 0.148083 BFGS: 2111 16:23:58 0.396193 0.147580 BFGS: 2112 16:23:58 0.393562 0.147081 BFGS: 2113 16:23:58 0.390929 0.146585 BFGS: 2114 16:23:58 0.388293 0.146093 BFGS: 2115 16:23:58 0.385654 0.145606 BFGS: 2116 16:23:58 0.383013 0.145122 BFGS: 2117 16:23:58 0.380369 0.144642 BFGS: 2118 16:23:59 0.377721 0.144167 BFGS: 2119 16:23:59 0.375071 0.143696 BFGS: 2120 16:23:59 0.372418 0.143230 BFGS: 2121 16:23:59 0.369762 0.142768 BFGS: 2122 16:23:59 0.367103 0.142311 BFGS: 2123 16:23:59 0.364440 0.141858 BFGS: 2124 16:23:59 0.361775 0.141410 BFGS: 2125 16:23:59 0.359106 0.140966 BFGS: 2126 16:23:59 0.356435 0.140528 BFGS: 2127 16:23:59 0.353760 0.140094 BFGS: 2128 16:23:59 0.351082 0.139665 BFGS: 2129 16:24:00 0.348401 0.139241 BFGS: 2130 16:24:00 0.345717 0.138822 BFGS: 2131 16:24:00 0.343030 0.138408 BFGS: 2132 16:24:00 0.340340 0.137999 BFGS: 2133 16:24:00 0.337647 0.137595 BFGS: 2134 16:24:00 0.334951 0.137197 BFGS: 2135 16:24:00 0.332252 0.136803 BFGS: 2136 16:24:00 0.329551 0.136415 BFGS: 2137 16:24:00 0.326847 0.136032 BFGS: 2138 16:24:00 0.324140 0.135654 BFGS: 2139 16:24:00 0.321431 0.135281 BFGS: 2140 16:24:01 0.318719 0.134914 BFGS: 2141 16:24:01 0.316005 0.134552 BFGS: 2142 16:24:01 0.313289 0.134195 BFGS: 2143 16:24:01 0.310570 0.133844 BFGS: 2144 16:24:01 0.307850 0.133498 BFGS: 2145 16:24:01 0.305128 0.133157 BFGS: 2146 16:24:01 0.302404 0.132822 BFGS: 2147 16:24:01 0.299679 0.132492 BFGS: 2148 16:24:01 0.296952 0.132168 BFGS: 2149 16:24:01 0.294224 0.131849 BFGS: 2150 16:24:01 0.291495 0.131535 BFGS: 2151 16:24:02 0.288765 0.131227 BFGS: 2152 16:24:02 0.286034 0.130925 BFGS: 2153 16:24:02 0.283303 0.130627 BFGS: 2154 16:24:02 0.280571 0.130336 BFGS: 2155 16:24:02 0.277840 0.130049 BFGS: 2156 16:24:02 0.275108 0.129769 BFGS: 2157 16:24:02 0.272377 0.129493 BFGS: 2158 16:24:02 0.269646 0.129223 BFGS: 2159 16:24:02 0.266916 0.128959 BFGS: 2160 16:24:02 0.264187 0.128700 BFGS: 2161 16:24:02 0.261460 0.128446 BFGS: 2162 16:24:02 0.258734 0.128197 BFGS: 2163 16:24:03 0.256010 0.127954 BFGS: 2164 16:24:03 0.253288 0.127717 BFGS: 2165 16:24:03 0.250568 0.127484 BFGS: 2166 16:24:03 0.247851 0.127257 BFGS: 2167 16:24:03 0.245137 0.127036 BFGS: 2168 16:24:03 0.242427 0.126819 BFGS: 2169 16:24:03 0.239720 0.126608 BFGS: 2170 16:24:03 0.237017 0.126402 BFGS: 2171 16:24:03 0.234319 0.126201 BFGS: 2172 16:24:03 0.231626 0.126005 BFGS: 2173 16:24:03 0.228937 0.125814 BFGS: 2174 16:24:03 0.226254 0.125629 BFGS: 2175 16:24:04 0.223577 0.125448 BFGS: 2176 16:24:04 0.220907 0.125272 BFGS: 2177 16:24:04 0.218243 0.125102 BFGS: 2178 16:24:04 0.215586 0.124936 BFGS: 2179 16:24:04 0.212937 0.124775 BFGS: 2180 16:24:04 0.210296 0.124618 BFGS: 2181 16:24:04 0.207663 0.124467 BFGS: 2182 16:24:04 0.205040 0.124320 BFGS: 2183 16:24:04 0.202425 0.124178 BFGS: 2184 16:24:04 0.199821 0.124040 BFGS: 2185 16:24:04 0.197227 0.123907 BFGS: 2186 16:24:04 0.194645 0.123778 BFGS: 2187 16:24:05 0.192073 0.123653 BFGS: 2188 16:24:05 0.189514 0.123533 BFGS: 2189 16:24:05 0.186967 0.123417 BFGS: 2190 16:24:05 0.184434 0.123305 BFGS: 2191 16:24:05 0.181914 0.123197 BFGS: 2192 16:24:05 0.179409 0.123093 BFGS: 2193 16:24:05 0.176918 0.122993 BFGS: 2194 16:24:05 0.174443 0.122896 BFGS: 2195 16:24:05 0.171985 0.122804 BFGS: 2196 16:24:05 0.169543 0.122715 BFGS: 2197 16:24:05 0.167118 0.122629 BFGS: 2198 16:24:06 0.164712 0.122546 BFGS: 2199 16:24:06 0.162324 0.122467 BFGS: 2200 16:24:06 0.159956 0.122391 BFGS: 2201 16:24:06 0.157608 0.122318 BFGS: 2202 16:24:06 0.155281 0.122247 BFGS: 2203 16:24:06 0.152976 0.122180 BFGS: 2204 16:24:06 0.150693 0.122114 BFGS: 2205 16:24:06 0.148433 0.122052 BFGS: 2206 16:24:06 0.146196 0.121991 BFGS: 2207 16:24:06 0.143984 0.121932 BFGS: 2208 16:24:07 0.141798 0.121876 BFGS: 2209 16:24:07 0.139638 0.121820 BFGS: 2210 16:24:07 0.137503 0.121767 BFGS: 2211 16:24:07 0.135429 0.121562 BFGS: 2212 16:24:07 0.133417 0.121291 BFGS: 2213 16:24:07 0.131465 0.120990 BFGS: 2214 16:24:07 0.129569 0.120673 BFGS: 2215 16:24:07 0.127727 0.120346 BFGS: 2216 16:24:07 0.125937 0.120014 BFGS: 2217 16:24:07 0.124195 0.119677 BFGS: 2218 16:24:08 0.122501 0.119339 BFGS: 2219 16:24:08 0.120851 0.119000 BFGS: 2220 16:24:08 0.119245 0.118660 BFGS: 2221 16:24:08 0.117679 0.118320 BFGS: 2222 16:24:08 0.116153 0.117979 BFGS: 2223 16:24:08 0.114664 0.117637 BFGS: 2224 16:24:08 0.113212 0.117295 BFGS: 2225 16:24:08 0.111794 0.116952 BFGS: 2226 16:24:08 0.110409 0.116608 BFGS: 2227 16:24:08 0.109056 0.116264 BFGS: 2228 16:24:09 0.107733 0.116608 BFGS: 2229 16:24:09 0.106439 0.117495 BFGS: 2230 16:24:09 0.105173 0.118348 BFGS: 2231 16:24:09 0.103934 0.119167 BFGS: 2232 16:24:09 0.102720 0.119955 BFGS: 2233 16:24:09 0.101531 0.120710 BFGS: 2234 16:24:09 0.100365 0.121434 BFGS: 2235 16:24:09 0.099222 0.122128 BFGS: 2236 16:24:09 0.098100 0.122792 BFGS: 2237 16:24:09 0.096999 0.123427 BFGS: 2238 16:24:10 0.095919 0.124033 BFGS: 2239 16:24:10 0.094857 0.124611 BFGS: 2240 16:24:10 0.093813 0.125162 BFGS: 2241 16:24:10 0.092787 0.125687 BFGS: 2242 16:24:10 0.091778 0.126185 BFGS: 2243 16:24:10 0.090785 0.126657 BFGS: 2244 16:24:10 0.089808 0.127105 BFGS: 2245 16:24:10 0.088846 0.127527 BFGS: 2246 16:24:10 0.087898 0.127926 BFGS: 2247 16:24:11 0.086964 0.128301 BFGS: 2248 16:24:11 0.086043 0.128652 BFGS: 2249 16:24:11 0.085135 0.128981 BFGS: 2250 16:24:11 0.084239 0.129288 BFGS: 2251 16:24:11 0.083356 0.129573 BFGS: 2252 16:24:11 0.082483 0.129836 BFGS: 2253 16:24:11 0.081622 0.130078 BFGS: 2254 16:24:11 0.080771 0.130300 BFGS: 2255 16:24:11 0.079930 0.130502 BFGS: 2256 16:24:11 0.079099 0.130683 BFGS: 2257 16:24:12 0.078277 0.130845 BFGS: 2258 16:24:12 0.077465 0.130989 BFGS: 2259 16:24:12 0.076662 0.131113 BFGS: 2260 16:24:12 0.075867 0.131219 BFGS: 2261 16:24:12 0.075080 0.131307 BFGS: 2262 16:24:12 0.074301 0.131377 BFGS: 2263 16:24:12 0.073530 0.131429 BFGS: 2264 16:24:12 0.072766 0.131465 BFGS: 2265 16:24:12 0.072009 0.131483 BFGS: 2266 16:24:12 0.071260 0.131486 BFGS: 2267 16:24:13 0.070517 0.131471 BFGS: 2268 16:24:13 0.069781 0.131441 BFGS: 2269 16:24:13 0.069051 0.131396 BFGS: 2270 16:24:13 0.068327 0.131334 BFGS: 2271 16:24:13 0.067609 0.131258 BFGS: 2272 16:24:13 0.066897 0.131167 BFGS: 2273 16:24:13 0.066191 0.131061 BFGS: 2274 16:24:13 0.065490 0.130941 BFGS: 2275 16:24:13 0.064794 0.130806 BFGS: 2276 16:24:13 0.064104 0.130658 BFGS: 2277 16:24:14 0.063419 0.130496 BFGS: 2278 16:24:14 0.062738 0.130320 BFGS: 2279 16:24:14 0.062063 0.130132 BFGS: 2280 16:24:14 0.061392 0.129930 BFGS: 2281 16:24:14 0.060726 0.129715 BFGS: 2282 16:24:14 0.060064 0.129488 BFGS: 2283 16:24:14 0.059407 0.129248 BFGS: 2284 16:24:14 0.058754 0.128996 BFGS: 2285 16:24:14 0.058105 0.128732 BFGS: 2286 16:24:14 0.057461 0.128456 BFGS: 2287 16:24:14 0.056820 0.128169 BFGS: 2288 16:24:15 0.056184 0.127870 BFGS: 2289 16:24:15 0.055551 0.127559 BFGS: 2290 16:24:15 0.054923 0.127238 BFGS: 2291 16:24:15 0.054298 0.126905 BFGS: 2292 16:24:15 0.053677 0.126562 BFGS: 2293 16:24:15 0.053060 0.126208 BFGS: 2294 16:24:15 0.052446 0.125844 BFGS: 2295 16:24:15 0.051836 0.125469 BFGS: 2296 16:24:15 0.051230 0.125085 BFGS: 2297 16:24:15 0.050627 0.124690 BFGS: 2298 16:24:16 0.050027 0.124285 BFGS: 2299 16:24:16 0.049431 0.123871 BFGS: 2300 16:24:16 0.048839 0.123447 BFGS: 2301 16:24:16 0.048249 0.123013 BFGS: 2302 16:24:16 0.047664 0.122571 BFGS: 2303 16:24:16 0.047081 0.122119 BFGS: 2304 16:24:16 0.046502 0.121658 BFGS: 2305 16:24:16 0.045926 0.121188 BFGS: 2306 16:24:16 0.045353 0.120710 BFGS: 2307 16:24:16 0.044784 0.120223 BFGS: 2308 16:24:17 0.044218 0.119728 BFGS: 2309 16:24:17 0.043655 0.119224 BFGS: 2310 16:24:17 0.043096 0.118712 BFGS: 2311 16:24:17 0.042539 0.118191 BFGS: 2312 16:24:17 0.041986 0.117663 BFGS: 2313 16:24:17 0.041436 0.117127 BFGS: 2314 16:24:17 0.040890 0.116583 BFGS: 2315 16:24:17 0.040346 0.116032 BFGS: 2316 16:24:17 0.039806 0.115473 BFGS: 2317 16:24:18 0.039269 0.114907 BFGS: 2318 16:24:18 0.038735 0.114333 BFGS: 2319 16:24:18 0.038204 0.113753 BFGS: 2320 16:24:18 0.037676 0.113165 BFGS: 2321 16:24:18 0.037152 0.112570 BFGS: 2322 16:24:18 0.036631 0.111968 BFGS: 2323 16:24:18 0.036113 0.111360 BFGS: 2324 16:24:18 0.035598 0.110745 BFGS: 2325 16:24:18 0.035087 0.110124 BFGS: 2326 16:24:18 0.034579 0.109496 BFGS: 2327 16:24:19 0.034074 0.108861 BFGS: 2328 16:24:19 0.033572 0.108221 BFGS: 2329 16:24:19 0.033074 0.107574 BFGS: 2330 16:24:19 0.032578 0.106922 BFGS: 2331 16:24:19 0.032087 0.106263 BFGS: 2332 16:24:19 0.031598 0.105599 BFGS: 2333 16:24:19 0.031113 0.104929 BFGS: 2334 16:24:19 0.030631 0.104253 BFGS: 2335 16:24:19 0.030152 0.103572 BFGS: 2336 16:24:19 0.029677 0.102885 BFGS: 2337 16:24:20 0.029205 0.102194 BFGS: 2338 16:24:20 0.028737 0.101496 BFGS: 2339 16:24:20 0.028272 0.100794 BFGS: 2340 16:24:20 0.027810 0.100087 BFGS: 2341 16:24:20 0.027352 0.099374 BFGS: 2342 16:24:20 0.026898 0.098657 BFGS: 2343 16:24:20 0.026446 0.097935 BFGS: 2344 16:24:20 0.025999 0.097208 BFGS: 2345 16:24:20 0.025554 0.096477 BFGS: 2346 16:24:20 0.025114 0.095741 BFGS: 2347 16:24:21 0.024676 0.095001 BFGS: 2348 16:24:21 0.024243 0.094257 BFGS: 2349 16:24:21 0.023813 0.093508 BFGS: 2350 16:24:21 0.023386 0.092755 BFGS: 2351 16:24:21 0.022963 0.091998 BFGS: 2352 16:24:21 0.022544 0.091237 BFGS: 2353 16:24:21 0.022128 0.090472 BFGS: 2354 16:24:21 0.021717 0.089703 BFGS: 2355 16:24:21 0.021308 0.088931 BFGS: 2356 16:24:21 0.020904 0.088155 BFGS: 2357 16:24:22 0.020503 0.087375 BFGS: 2358 16:24:22 0.020106 0.086592 BFGS: 2359 16:24:22 0.019712 0.085806 BFGS: 2360 16:24:22 0.019322 0.085016 BFGS: 2361 16:24:22 0.018937 0.084223 BFGS: 2362 16:24:22 0.018554 0.083427 BFGS: 2363 16:24:22 0.018176 0.082628 BFGS: 2364 16:24:22 0.017802 0.081826 BFGS: 2365 16:24:22 0.017431 0.081021 BFGS: 2366 16:24:22 0.017064 0.080213 BFGS: 2367 16:24:23 0.016701 0.079402 BFGS: 2368 16:24:23 0.016342 0.078589 BFGS: 2369 16:24:23 0.015987 0.077773 BFGS: 2370 16:24:23 0.015635 0.076955 BFGS: 2371 16:24:23 0.015288 0.076134 BFGS: 2372 16:24:23 0.014944 0.075311 BFGS: 2373 16:24:23 0.014605 0.074485 BFGS: 2374 16:24:23 0.014269 0.073658 BFGS: 2375 16:24:23 0.013938 0.072828 BFGS: 2376 16:24:23 0.013610 0.071996 BFGS: 2377 16:24:24 0.013286 0.071163 BFGS: 2378 16:24:24 0.012966 0.070327 BFGS: 2379 16:24:24 0.012651 0.069490 BFGS: 2380 16:24:24 0.012339 0.068651 BFGS: 2381 16:24:24 0.012031 0.067810 BFGS: 2382 16:24:24 0.011727 0.066968 BFGS: 2383 16:24:24 0.011427 0.066124 BFGS: 2384 16:24:24 0.011132 0.065279 BFGS: 2385 16:24:24 0.010840 0.064432 BFGS: 2386 16:24:24 0.010552 0.063584 BFGS: 2387 16:24:25 0.010269 0.062735 BFGS: 2388 16:24:25 0.009989 0.061885 BFGS: 2389 16:24:25 0.009714 0.061034 BFGS: 2390 16:24:25 0.009442 0.060182 BFGS: 2391 16:24:25 0.009175 0.059328 BFGS: 2392 16:24:25 0.008912 0.058474 BFGS: 2393 16:24:25 0.008652 0.057620 BFGS: 2394 16:24:25 0.008397 0.056764 BFGS: 2395 16:24:25 0.008146 0.055908 BFGS: 2396 16:24:26 0.007899 0.055051 BFGS: 2397 16:24:26 0.007656 0.054194 BFGS: 2398 16:24:26 0.007417 0.053337 BFGS: 2399 16:24:26 0.007182 0.052479 BFGS: 2400 16:24:26 0.006951 0.051621 BFGS: 2401 16:24:26 0.006724 0.050762 BFGS: 2402 16:24:26 0.006501 0.049904 BFGS: 2403 16:24:26 0.006282 0.049045 BFGS: 2404 16:24:26 0.006068 0.048187 BFGS: 2405 16:24:26 0.005857 0.047328 BFGS: 2406 16:24:26 0.005650 0.046470 BFGS: 2407 16:24:26 0.005448 0.045612 BFGS: 2408 16:24:27 0.005249 0.044754 BFGS: 2409 16:24:27 0.005054 0.043896 BFGS: 2410 16:24:27 0.004864 0.043039 BFGS: 2411 16:24:27 0.004677 0.042183 BFGS: 2412 16:24:27 0.004494 0.041327 BFGS: 2413 16:24:27 0.004315 0.040471 BFGS: 2414 16:24:27 0.004141 0.039617 BFGS: 2415 16:24:27 0.003970 0.038763 BFGS: 2416 16:24:28 0.003803 0.037910 BFGS: 2417 16:24:28 0.003640 0.037058 BFGS: 2418 16:24:28 0.003481 0.036206 BFGS: 2419 16:24:28 0.003325 0.035356 BFGS: 2420 16:24:28 0.003174 0.034507 BFGS: 2421 16:24:28 0.003026 0.033660 BFGS: 2422 16:24:28 0.002883 0.032813 BFGS: 2423 16:24:28 0.002743 0.031968 BFGS: 2424 16:24:29 0.002607 0.031124 BFGS: 2425 16:24:29 0.002475 0.030282 BFGS: 2426 16:24:29 0.002346 0.029441 BFGS: 2427 16:24:29 0.002221 0.028602 BFGS: 2428 16:24:29 0.002100 0.027765 BFGS: 2429 16:24:29 0.001983 0.026929 BFGS: 2430 16:24:29 0.001869 0.026096 BFGS: 2431 16:24:29 0.001759 0.025264 BFGS: 2432 16:24:29 0.001653 0.024434 BFGS: 2433 16:24:29 0.001550 0.023607 BFGS: 2434 16:24:29 0.001451 0.022782 BFGS: 2435 16:24:29 0.001356 0.021959 BFGS: 2436 16:24:30 0.001264 0.021138 BFGS: 2437 16:24:30 0.001176 0.020320 BFGS: 2438 16:24:30 0.001091 0.019504 BFGS: 2439 16:24:30 0.001009 0.018692 BFGS: 2440 16:24:30 0.000931 0.017882 BFGS: 2441 16:24:30 0.000857 0.017074 BFGS: 2442 16:24:30 0.000786 0.016270 BFGS: 2443 16:24:30 0.000718 0.015469 BFGS: 2444 16:24:30 0.000653 0.014671 BFGS: 2445 16:24:30 0.000592 0.013877 BFGS: 2446 16:24:30 0.000534 0.013086 BFGS: 2447 16:24:30 0.000480 0.012299 BFGS: 2448 16:24:30 0.000429 0.011515 BFGS: 2449 16:24:31 0.000380 0.010736 BFGS: 2450 16:24:31 0.000335 0.009960 BFGS: 2451 16:24:31 0.000294 0.009189 BFGS: 2452 16:24:31 0.000255 0.008423 BFGS: 2453 16:24:31 0.000219 0.007662 BFGS: 2454 16:24:31 0.000186 0.006906 BFGS: 2455 16:24:31 0.000156 0.006155 BFGS: 2456 16:24:31 0.000130 0.005410 BFGS: 2457 16:24:31 0.000106 0.004672 BFGS: 2458 16:24:31 0.000085 0.003941 BFGS: 2459 16:24:31 0.000066 0.003217 BFGS: 2460 16:24:31 0.000051 0.002739 BFGS: 2461 16:24:31 0.000038 0.002270 BFGS: 2462 16:24:32 0.000027 0.001806 BFGS: 2463 16:24:32 0.000020 0.001350 BFGS: 2464 16:24:32 0.000014 0.001144 BFGS: 2465 16:24:32 0.000010 0.001006 BFGS: 2466 16:24:32 0.000007 0.000860 BFGS: 2467 16:24:32 0.000005 0.000705 BFGS: 2468 16:24:32 0.000003 0.000539 BFGS: 2469 16:24:32 0.000001 0.000367 BFGS: 2470 16:24:32 0.000000 0.000192 BFGS: 2471 16:24:32 0.000000 0.000017 BFGS: 2472 16:24:32 0.000000 0.000000 BFGS: 2473 16:24:32 -0.000000 0.000000 BFGS: 2474 16:24:32 -0.000000 0.000000 Minimization converged after 2474 steps. Maximum force component: 2.199081013344423e-14 eV/Angstrom Maximum stress component: 6.123537397552284e-17 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [3.15821065e-01 3.15821065e-01 3.15821065e-01] [6.84178935e-01 6.84178935e-01 3.15821065e-01] [6.84178935e-01 3.15821065e-01 6.84178935e-01] [3.15821065e-01 6.84178935e-01 6.84178935e-01] [8.15821065e-01 8.15821065e-01 8.15821065e-01] [1.84178935e-01 1.84178935e-01 8.15821065e-01] [1.84178935e-01 8.15821065e-01 1.84178935e-01] [8.15821065e-01 1.84178935e-01 1.84178935e-01] [3.61904820e-01 3.61904820e-01 4.99993682e-01] [6.38095180e-01 6.38095180e-01 4.99993682e-01] [6.38095180e-01 3.61904820e-01 5.00006318e-01] [3.61904820e-01 6.38095180e-01 5.00006318e-01] [4.99993682e-01 3.61904820e-01 3.61904820e-01] [4.99993682e-01 6.38095180e-01 6.38095180e-01] [5.00006318e-01 6.38095180e-01 3.61904820e-01] [5.00006318e-01 3.61904820e-01 6.38095180e-01] [3.61904820e-01 4.99993682e-01 3.61904820e-01] [6.38095180e-01 4.99993682e-01 6.38095180e-01] [3.61904820e-01 5.00006318e-01 6.38095180e-01] [6.38095180e-01 5.00006318e-01 3.61904820e-01] [8.61904820e-01 8.61904820e-01 9.99993682e-01] [1.38095180e-01 1.38095180e-01 9.99993682e-01] [1.38095180e-01 8.61904820e-01 6.31808995e-06] [8.61904820e-01 1.38095180e-01 6.31808995e-06] [9.99993682e-01 8.61904820e-01 8.61904820e-01] [9.99993682e-01 1.38095180e-01 1.38095180e-01] [6.31808995e-06 1.38095180e-01 8.61904820e-01] [6.31808995e-06 8.61904820e-01 1.38095180e-01] [8.61904820e-01 9.99993682e-01 8.61904820e-01] [1.38095180e-01 9.99993682e-01 1.38095180e-01] [8.61904820e-01 6.31808995e-06 1.38095180e-01] [1.38095180e-01 6.31808995e-06 8.61904820e-01] [5.94301257e-01 1.29550559e-01 7.32375348e-01] [4.05698743e-01 8.70449441e-01 7.32375348e-01] [4.05698743e-01 1.29550559e-01 2.67624652e-01] [5.94301257e-01 8.70449441e-01 2.67624652e-01] [7.32375348e-01 5.94301257e-01 1.29550559e-01] [7.32375348e-01 4.05698743e-01 8.70449441e-01] [2.67624652e-01 4.05698743e-01 1.29550559e-01] [2.67624652e-01 5.94301257e-01 8.70449441e-01] [1.29550559e-01 7.32375348e-01 5.94301257e-01] [8.70449441e-01 7.32375348e-01 4.05698743e-01] [1.29550559e-01 2.67624652e-01 4.05698743e-01] [8.70449441e-01 2.67624652e-01 5.94301257e-01] [1.29550559e-01 5.94301257e-01 7.32375348e-01] [8.70449441e-01 4.05698743e-01 7.32375348e-01] [1.29550559e-01 4.05698743e-01 2.67624652e-01] [8.70449441e-01 5.94301257e-01 2.67624652e-01] [5.94301257e-01 7.32375348e-01 1.29550559e-01] [4.05698743e-01 7.32375348e-01 8.70449441e-01] [4.05698743e-01 2.67624652e-01 1.29550559e-01] [5.94301257e-01 2.67624652e-01 8.70449441e-01] [7.32375348e-01 1.29550559e-01 5.94301257e-01] [7.32375348e-01 8.70449441e-01 4.05698743e-01] [2.67624652e-01 1.29550559e-01 4.05698743e-01] [2.67624652e-01 8.70449441e-01 5.94301257e-01] [9.43012568e-02 6.29550559e-01 2.32375348e-01] [9.05698743e-01 3.70449441e-01 2.32375348e-01] [9.05698743e-01 6.29550559e-01 7.67624652e-01] [9.43012568e-02 3.70449441e-01 7.67624652e-01] [2.32375348e-01 9.43012568e-02 6.29550559e-01] [2.32375348e-01 9.05698743e-01 3.70449441e-01] [7.67624652e-01 9.05698743e-01 6.29550559e-01] [7.67624652e-01 9.43012568e-02 3.70449441e-01] [6.29550559e-01 2.32375348e-01 9.43012568e-02] [3.70449441e-01 2.32375348e-01 9.05698743e-01] [6.29550559e-01 7.67624652e-01 9.05698743e-01] [3.70449441e-01 7.67624652e-01 9.43012568e-02] [6.29550559e-01 9.43012568e-02 2.32375348e-01] [3.70449441e-01 9.05698743e-01 2.32375348e-01] [6.29550559e-01 9.05698743e-01 7.67624652e-01] [3.70449441e-01 9.43012568e-02 7.67624652e-01] [9.43012568e-02 2.32375348e-01 6.29550559e-01] [9.05698743e-01 2.32375348e-01 3.70449441e-01] [9.05698743e-01 7.67624652e-01 6.29550559e-01] [9.43012568e-02 7.67624652e-01 3.70449441e-01] [2.32375348e-01 6.29550559e-01 9.43012568e-02] [2.32375348e-01 3.70449441e-01 9.05698743e-01] [7.67624652e-01 6.29550559e-01 9.05698743e-01] [7.67624652e-01 3.70449441e-01 9.43012568e-02]] cellpar = Cell([[28.16666954817518, 4.929421235728806e-33, 3.962958936625852e-34], [9.9335753976289e-32, 28.16666954817518, 9.716296579459602e-18], [-4.890751626536027e-34, 9.716296579460055e-18, 28.16666954817518]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-2.19908101e-14 7.58588916e-33 2.19908101e-14] [ 2.19908101e-14 7.58588916e-33 2.19908101e-14] [ 2.19908101e-14 -7.58588916e-33 -2.19908101e-14] [-2.19908101e-14 -7.58588916e-33 -2.19908101e-14] [ 2.19908101e-14 -2.19908101e-14 -7.58588916e-33] [ 2.19908101e-14 2.19908101e-14 7.58588916e-33] [-2.19908101e-14 2.19908101e-14 7.58588916e-33] [-2.19908101e-14 -2.19908101e-14 -7.58588916e-33] [ 8.00659761e-47 2.19908101e-14 -2.19908101e-14] [ 4.13603214e-46 2.19908101e-14 2.19908101e-14] [-4.90826850e-46 -2.19908101e-14 2.19908101e-14] [-7.71734316e-47 -2.19908101e-14 -2.19908101e-14] [-8.00659761e-47 -2.19908101e-14 2.19908101e-14] [ 7.71734316e-47 2.19908101e-14 2.19908101e-14] [ 4.90826850e-46 2.19908101e-14 -2.19908101e-14] [-4.13603214e-46 -2.19908101e-14 -2.19908101e-14] [-2.19908101e-14 2.19908101e-14 7.58588916e-33] [ 2.19908101e-14 2.19908101e-14 7.58588916e-33] [ 2.19908101e-14 -2.19908101e-14 -7.58588916e-33] [-2.19908101e-14 -2.19908101e-14 -7.58588916e-33] [ 2.19908101e-14 -7.58588916e-33 -2.19908101e-14] [ 2.19908101e-14 7.58588916e-33 2.19908101e-14] [-2.19908101e-14 7.58588916e-33 2.19908101e-14] [-2.19908101e-14 -7.58588916e-33 -2.19908101e-14] [-2.19908101e-14 7.58588916e-33 2.19908101e-14] [ 2.19908101e-14 7.58588916e-33 2.19908101e-14] [ 2.19908101e-14 -7.58588916e-33 -2.19908101e-14] [-2.19908101e-14 -7.58588916e-33 -2.19908101e-14] [ 2.19908101e-14 -2.19908101e-14 -7.58588916e-33] [ 2.19908101e-14 2.19908101e-14 7.58588916e-33] [-2.19908101e-14 2.19908101e-14 7.58588916e-33] [-2.19908101e-14 -2.19908101e-14 -7.58588916e-33] [ 7.71906411e-47 2.19908101e-14 -2.19908101e-14] [ 4.08864330e-46 2.19908101e-14 2.19908101e-14] [-4.88724129e-46 -2.19908101e-14 2.19908101e-14] [-8.26510454e-47 -2.19908101e-14 -2.19908101e-14] [-7.71906411e-47 -2.19908101e-14 2.19908101e-14] [ 8.26510454e-47 2.19908101e-14 2.19908101e-14] [ 4.88724129e-46 2.19908101e-14 -2.19908101e-14] [-4.08864330e-46 -2.19908101e-14 -2.19908101e-14] [-2.19908101e-14 2.19908101e-14 7.58588916e-33] [ 2.19908101e-14 2.19908101e-14 7.58588916e-33] [ 2.19908101e-14 -2.19908101e-14 -7.58588916e-33] [-2.19908101e-14 -2.19908101e-14 -7.58588916e-33] [ 2.19908101e-14 -7.58588916e-33 -2.19908101e-14] [ 2.19908101e-14 7.58588916e-33 2.19908101e-14] [-2.19908101e-14 7.58588916e-33 2.19908101e-14] [-2.19908101e-14 -7.58588916e-33 -2.19908101e-14]] stress = [-6.12353740e-17 -6.12353740e-17 -6.12353740e-17 -7.00990019e-35 -2.07151556e-35 -1.60014274e-53] energy per atom = -7.582010899879118e-17 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0