element(s): ['C'] AFLOW prototype label: A_oI120_71_lmn6o Parameter names: ['a', 'b/a', 'c/a', 'y1', 'z1', 'x2', 'z2', 'x3', 'y3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['16.9765', '0.53839131', '0.53253026', '0.087794084', '0.41181715', '0.79695569', '0.077206239', '0.95291847', '0.41287669', '0.84820465', '0.25285259', '0.080318454', '0.91460436', '0.33504004', '0.12991053', '0.82302819', '0.12822295', '0.15791096', '0.95658327', '0.28466999', '0.25169645', '0.86554334', '0.080688437', '0.28688349', '0.93091231', '0.15926312', '0.33373657'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] representative atom coordinates = [[0. 0.58818285 0.08779408] [0.79695569 0.92279376 0. ] [0.95291847 0. 0.41287669] [0.34820465 0.41968155 0.75285259] [0.41460436 0.37008947 0.83504004] [0.32302819 0.34208904 0.62822295] [0.45658327 0.24830355 0.78466999] [0.36554334 0.21311651 0.58068844] [0.43091231 0.16626343 0.65926312]] spacegroup = 71 cell = [[16.9765, 0, 0], [0, 9.0405, 0], [0, 0, 9.14]] ========================================= Step Time Energy fmax BFGS: 0 08:45:17 12447.151525 191.585343 BFGS: 1 08:45:17 11934.330859 180.917918 BFGS: 2 08:45:17 11555.068483 174.294053 BFGS: 3 08:45:18 11293.371660 168.251058 BFGS: 4 08:45:19 11056.898221 163.096029 BFGS: 5 08:45:20 10841.390508 158.603818 BFGS: 6 08:45:21 10651.632276 155.981780 BFGS: 7 08:45:22 10459.176135 153.329013 BFGS: 8 08:45:24 10260.387715 150.035500 BFGS: 9 08:45:25 10063.543747 146.450785 BFGS: 10 08:45:26 9875.450624 143.318221 BFGS: 11 08:45:29 9693.503865 141.013491 BFGS: 12 08:45:30 9514.328355 138.268016 BFGS: 13 08:45:31 9335.887017 135.791075 BFGS: 14 08:45:35 9160.021692 133.302151 BFGS: 15 08:45:37 8984.879157 131.151620 BFGS: 16 08:45:40 8818.451874 128.119117 BFGS: 17 08:45:43 8659.288935 125.691987 BFGS: 18 08:45:44 8506.992302 122.974546 BFGS: 19 08:45:47 8355.112730 120.227657 BFGS: 20 08:45:49 8215.118012 117.641991 BFGS: 21 08:45:52 8092.074762 115.278762 BFGS: 22 08:45:58 7986.203949 113.188923 BFGS: 23 08:46:00 7892.490002 111.140023 BFGS: 24 08:46:01 7808.094345 109.390035 BFGS: 25 08:46:02 7733.207371 107.803389 BFGS: 26 08:46:06 7666.061279 107.076413 BFGS: 27 08:46:07 7603.788764 106.392851 BFGS: 28 08:46:09 7543.665517 105.824570 BFGS: 29 08:46:10 7486.165359 105.242379 BFGS: 30 08:46:12 7430.616523 104.712481 BFGS: 31 08:46:13 7377.358253 104.173321 BFGS: 32 08:46:14 7326.058509 103.661316 BFGS: 33 08:46:15 7276.647382 103.139761 BFGS: 34 08:46:18 7228.661957 102.630907 BFGS: 35 08:46:22 7181.908727 102.111703 BFGS: 36 08:46:23 7136.201137 101.592396 BFGS: 37 08:46:27 7091.587723 101.063417 BFGS: 38 08:46:30 7048.153339 100.533498 BFGS: 39 08:46:31 7006.064463 100.000012 BFGS: 40 08:46:32 6965.444499 99.469743 BFGS: 41 08:46:33 6926.395421 98.942614 BFGS: 42 08:46:35 6888.954992 98.423852 BFGS: 43 08:46:35 6853.125951 97.913556 BFGS: 44 08:46:36 6818.859201 97.413577 BFGS: 45 08:46:37 6786.071769 96.924773 BFGS: 46 08:46:39 6754.660621 96.447410 BFGS: 47 08:46:40 6724.518269 95.981578 BFGS: 48 08:46:41 6695.527320 95.526931 BFGS: 49 08:46:42 6667.581387 95.083168 BFGS: 50 08:46:43 6640.578707 94.649763 BFGS: 51 08:46:45 6614.422595 94.225962 BFGS: 52 08:46:47 6589.022916 93.811545 BFGS: 53 08:46:49 6564.294041 93.405560 BFGS: 54 08:46:50 6540.159248 93.007183 BFGS: 55 08:46:50 6516.548725 92.616051 BFGS: 56 08:46:52 6493.400059 92.231109 BFGS: 57 08:46:52 6470.656350 91.851601 BFGS: 58 08:46:53 6448.266067 91.476826 BFGS: 59 08:46:54 6426.177893 91.106182 BFGS: 60 08:46:55 6404.355401 90.738921 BFGS: 61 08:46:56 6382.765232 90.374507 BFGS: 62 08:46:57 6361.377884 90.012331 BFGS: 63 08:46:58 6340.170276 89.651908 BFGS: 64 08:46:59 6319.121163 89.292941 BFGS: 65 08:46:59 6298.211499 88.935757 BFGS: 66 08:47:01 6277.430223 88.579455 BFGS: 67 08:47:02 6256.957829 88.226773 BFGS: 68 08:47:03 6236.835474 87.878376 BFGS: 69 08:47:04 6217.048326 87.534207 BFGS: 70 08:47:05 6197.584272 87.194150 BFGS: 71 08:47:05 6178.432690 86.858358 BFGS: 72 08:47:06 6159.583023 86.526566 BFGS: 73 08:47:07 6141.026414 86.198668 BFGS: 74 08:47:07 6122.754460 85.874176 BFGS: 75 08:47:09 6104.760130 85.553031 BFGS: 76 08:47:10 6087.036189 85.235202 BFGS: 77 08:47:12 6069.575453 84.920558 BFGS: 78 08:47:13 6052.368824 84.608912 BFGS: 79 08:47:15 6035.407391 84.300167 BFGS: 80 08:47:15 6018.681829 83.994423 BFGS: 81 08:47:16 6002.181974 83.691577 BFGS: 82 08:47:17 5985.896515 83.391320 BFGS: 83 08:47:17 5969.815133 83.093532 BFGS: 84 08:47:18 5953.925589 82.797876 BFGS: 85 08:47:19 5938.215686 82.504145 BFGS: 86 08:47:20 5922.673832 82.212107 BFGS: 87 08:47:22 5907.286372 81.921506 BFGS: 88 08:47:23 5892.039494 81.632083 BFGS: 89 08:47:24 5876.919480 81.343557 BFGS: 90 08:47:25 5861.913164 81.055730 BFGS: 91 08:47:26 5847.007331 80.768367 BFGS: 92 08:47:27 5832.189323 80.481281 BFGS: 93 08:47:28 5817.447221 80.194057 BFGS: 94 08:47:29 5802.770639 79.906491 BFGS: 95 08:47:31 5788.150324 79.618451 BFGS: 96 08:47:32 5773.577764 79.330004 BFGS: 97 08:47:33 5759.045239 79.040889 BFGS: 98 08:47:34 5744.547024 78.750829 BFGS: 99 08:47:35 5730.079725 78.459714 BFGS: 100 08:47:36 5715.638197 78.167345 BFGS: 101 08:47:37 5701.220406 77.874084 BFGS: 102 08:47:37 5686.825364 77.579781 BFGS: 103 08:47:38 5672.452219 77.284287 BFGS: 104 08:47:38 5658.100762 76.987608 BFGS: 105 08:47:38 5643.770702 76.690022 BFGS: 106 08:47:38 5629.462087 76.391423 BFGS: 107 08:47:39 5615.175017 76.091864 BFGS: 108 08:47:39 5600.909654 75.791522 BFGS: 109 08:47:40 5586.667237 75.490168 BFGS: 110 08:47:41 5572.449694 75.187905 BFGS: 111 08:47:43 5558.257484 74.884836 BFGS: 112 08:47:44 5544.092317 74.581026 BFGS: 113 08:47:46 5529.954675 74.276491 BFGS: 114 08:47:47 5515.844834 73.971273 BFGS: 115 08:47:47 5501.763413 73.665470 BFGS: 116 08:47:48 5487.710270 73.359119 BFGS: 117 08:47:49 5473.685411 73.052168 BFGS: 118 08:47:49 5459.688998 72.744694 BFGS: 119 08:47:49 5445.721062 72.436808 BFGS: 120 08:47:49 5431.780740 72.128809 BFGS: 121 08:47:50 5417.867388 71.820347 BFGS: 122 08:47:50 5403.981182 71.511532 BFGS: 123 08:47:50 5390.122087 71.202463 BFGS: 124 08:47:52 5376.290004 70.893039 BFGS: 125 08:47:55 5362.484922 70.583280 BFGS: 126 08:47:56 5348.706824 70.273241 BFGS: 127 08:47:57 5334.955690 69.962936 BFGS: 128 08:47:57 5321.231702 69.652381 BFGS: 129 08:47:58 5307.535006 69.341628 BFGS: 130 08:47:58 5293.865991 69.030705 BFGS: 131 08:47:59 5280.225137 68.719625 BFGS: 132 08:47:59 5266.612926 68.408420 BFGS: 133 08:48:00 5253.030757 68.097164 BFGS: 134 08:48:01 5239.478779 67.786041 BFGS: 135 08:48:02 5225.956947 67.474985 BFGS: 136 08:48:03 5212.468252 67.164069 BFGS: 137 08:48:03 5199.014031 66.853339 BFGS: 138 08:48:04 5185.594994 66.542923 BFGS: 139 08:48:04 5172.212007 66.232812 BFGS: 140 08:48:05 5158.866055 65.923217 BFGS: 141 08:48:05 5145.558934 65.614203 BFGS: 142 08:48:05 5132.292129 65.305534 BFGS: 143 08:48:06 5119.066825 64.997606 BFGS: 144 08:48:06 5105.883629 64.690306 BFGS: 145 08:48:07 5092.743611 64.383763 BFGS: 146 08:48:07 5079.647759 64.077762 BFGS: 147 08:48:07 5066.597710 63.772406 BFGS: 148 08:48:08 5053.595016 63.467774 BFGS: 149 08:48:09 5040.642141 63.164023 BFGS: 150 08:48:10 5027.869789 62.864238 BFGS: 151 08:48:11 5015.288497 62.568690 BFGS: 152 08:48:11 5002.892813 62.277274 BFGS: 153 08:48:12 4990.677232 61.989883 BFGS: 154 08:48:12 4978.636115 61.706418 BFGS: 155 08:48:12 4966.763353 61.426796 BFGS: 156 08:48:13 4955.052865 61.150904 BFGS: 157 08:48:13 4943.498599 60.878628 BFGS: 158 08:48:14 4932.094412 60.610053 BFGS: 159 08:48:15 4920.833764 60.345026 BFGS: 160 08:48:16 4909.710197 60.083626 BFGS: 161 08:48:17 4898.717142 59.825396 BFGS: 162 08:48:18 4887.848240 59.570234 BFGS: 163 08:48:20 4877.097107 59.318123 BFGS: 164 08:48:22 4866.457515 59.068959 BFGS: 165 08:48:23 4855.923251 58.822569 BFGS: 166 08:48:24 4845.487710 58.578892 BFGS: 167 08:48:25 4835.143857 58.337736 BFGS: 168 08:48:25 4824.885856 58.099251 BFGS: 169 08:48:25 4814.707461 57.863191 BFGS: 170 08:48:26 4804.602603 57.629439 BFGS: 171 08:48:28 4794.565317 57.397916 BFGS: 172 08:48:30 4784.589960 57.168529 BFGS: 173 08:48:32 4774.671178 56.941184 BFGS: 174 08:48:33 4764.803949 56.715878 BFGS: 175 08:48:36 4754.984580 56.492564 BFGS: 176 08:48:37 4745.207809 56.271537 BFGS: 177 08:48:38 4735.468618 56.052492 BFGS: 178 08:48:38 4725.762169 55.835414 BFGS: 179 08:48:41 4716.083881 55.620337 BFGS: 180 08:48:41 4706.429374 55.406905 BFGS: 181 08:48:43 4696.794604 55.195081 BFGS: 182 08:48:44 4687.175823 54.984934 BFGS: 183 08:48:45 4677.569877 54.776483 BFGS: 184 08:48:47 4667.974328 54.569860 BFGS: 185 08:48:49 4658.386024 54.365127 BFGS: 186 08:48:50 4648.801807 54.162210 BFGS: 187 08:48:52 4639.218937 53.960972 BFGS: 188 08:48:53 4629.635151 53.761060 BFGS: 189 08:48:54 4620.048060 53.562418 BFGS: 190 08:48:56 4610.455676 53.365018 BFGS: 191 08:48:59 4600.856849 53.168856 BFGS: 192 08:49:00 4591.250626 52.973956 BFGS: 193 08:49:03 4581.635939 52.780467 BFGS: 194 08:49:04 4572.011162 52.588169 BFGS: 195 08:49:06 4562.376098 52.430836 BFGS: 196 08:49:08 4552.730585 52.289228 BFGS: 197 08:49:09 4543.074596 52.146468 BFGS: 198 08:49:10 4533.408876 52.002544 BFGS: 199 08:49:12 4523.733745 51.857898 BFGS: 200 08:49:14 4514.049906 51.712585 BFGS: 201 08:49:16 4504.357952 51.566156 BFGS: 202 08:49:16 4494.658942 51.418601 BFGS: 203 08:49:17 4484.953402 51.269965 BFGS: 204 08:49:17 4475.241888 51.120358 BFGS: 205 08:49:18 4465.524852 50.970252 BFGS: 206 08:49:20 4455.803133 50.819207 BFGS: 207 08:49:21 4446.077409 50.667156 BFGS: 208 08:49:21 4436.348376 50.514129 BFGS: 209 08:49:22 4426.616759 50.360314 BFGS: 210 08:49:22 4416.888010 50.205802 BFGS: 211 08:49:23 4407.196143 50.051023 BFGS: 212 08:49:25 4397.540787 49.896413 BFGS: 213 08:49:26 4387.922087 49.741833 BFGS: 214 08:49:27 4378.339642 49.587232 BFGS: 215 08:49:27 4368.793144 49.432737 BFGS: 216 08:49:28 4359.281569 49.278863 BFGS: 217 08:49:30 4349.805039 49.124831 BFGS: 218 08:49:31 4340.362705 48.970636 BFGS: 219 08:49:32 4330.953996 48.816328 BFGS: 220 08:49:34 4321.578487 48.662062 BFGS: 221 08:49:34 4312.236075 48.507689 BFGS: 222 08:49:36 4302.926043 48.353284 BFGS: 223 08:49:37 4293.647674 48.199118 BFGS: 224 08:49:38 4284.401731 48.045175 BFGS: 225 08:49:38 4275.187969 47.891317 BFGS: 226 08:49:39 4266.005387 47.737735 BFGS: 227 08:49:39 4256.853583 47.584170 BFGS: 228 08:49:39 4247.731699 47.430654 BFGS: 229 08:49:40 4238.638465 47.277180 BFGS: 230 08:49:40 4229.572964 47.123700 BFGS: 231 08:49:41 4220.534554 46.970296 BFGS: 232 08:49:41 4211.522582 46.816968 BFGS: 233 08:49:42 4202.536380 46.664033 BFGS: 234 08:49:42 4193.573493 46.511312 BFGS: 235 08:49:43 4184.633283 46.358663 BFGS: 236 08:49:43 4175.715596 46.206275 BFGS: 237 08:49:44 4166.819844 46.054441 BFGS: 238 08:49:44 4157.945620 45.903151 BFGS: 239 08:49:45 4149.093359 45.751991 BFGS: 240 08:49:45 4140.262449 45.600981 BFGS: 241 08:49:46 4131.452272 45.450063 BFGS: 242 08:49:46 4122.662294 45.299350 BFGS: 243 08:49:46 4113.892004 45.149163 BFGS: 244 08:49:47 4105.141439 44.999143 BFGS: 245 08:49:47 4096.410276 44.849401 BFGS: 246 08:49:48 4087.697690 44.699840 BFGS: 247 08:49:49 4079.008724 44.550720 BFGS: 248 08:49:50 4070.425077 44.403617 BFGS: 249 08:49:50 4061.944716 44.258408 BFGS: 250 08:49:50 4053.565605 44.114817 BFGS: 251 08:49:50 4045.285817 43.972831 BFGS: 252 08:49:51 4037.103576 43.832435 BFGS: 253 08:49:52 4029.017369 43.693617 BFGS: 254 08:49:53 4021.025451 43.556356 BFGS: 255 08:49:54 4013.126105 43.420634 BFGS: 256 08:49:55 4005.317650 43.291540 BFGS: 257 08:49:56 3997.598476 43.183077 BFGS: 258 08:49:57 3989.966382 43.075958 BFGS: 259 08:49:58 3982.419798 42.970171 BFGS: 260 08:49:58 3974.957258 42.865975 BFGS: 261 08:49:59 3967.577667 42.763181 BFGS: 262 08:49:59 3960.279602 42.661742 BFGS: 263 08:50:00 3953.061532 42.561449 BFGS: 264 08:50:00 3945.921818 42.462320 BFGS: 265 08:50:01 3938.859020 42.364303 BFGS: 266 08:50:02 3931.871707 42.267373 BFGS: 267 08:50:02 3924.958457 42.171495 BFGS: 268 08:50:03 3918.117868 42.076640 BFGS: 269 08:50:04 3911.348468 41.982778 BFGS: 270 08:50:05 3904.648777 41.889904 BFGS: 271 08:50:06 3898.017229 41.798007 BFGS: 272 08:50:07 3891.452413 41.707016 BFGS: 273 08:50:07 3884.953098 41.617164 BFGS: 274 08:50:08 3878.517968 41.528380 BFGS: 275 08:50:09 3872.145471 41.440425 BFGS: 276 08:50:10 3865.834463 41.353268 BFGS: 277 08:50:11 3859.583826 41.266884 BFGS: 278 08:50:12 3853.392456 41.181252 BFGS: 279 08:50:13 3847.259259 41.096351 BFGS: 280 08:50:13 3841.183155 41.012164 BFGS: 281 08:50:14 3835.163043 40.928667 BFGS: 282 08:50:15 3829.197876 40.845840 BFGS: 283 08:50:15 3823.286607 40.763918 BFGS: 284 08:50:16 3817.428470 40.682627 BFGS: 285 08:50:16 3811.622458 40.601951 BFGS: 286 08:50:17 3805.867521 40.521869 BFGS: 287 08:50:18 3800.162344 40.442357 BFGS: 288 08:50:18 3794.505992 40.363404 BFGS: 289 08:50:19 3788.897526 40.284996 BFGS: 290 08:50:19 3783.336091 40.207113 BFGS: 291 08:50:20 3777.820777 40.129912 BFGS: 292 08:50:20 3772.350602 40.053288 BFGS: 293 08:50:21 3766.924681 39.977160 BFGS: 294 08:50:21 3761.542173 39.901568 BFGS: 295 08:50:21 3756.202284 39.826701 BFGS: 296 08:50:21 3750.904319 39.752387 BFGS: 297 08:50:22 3745.647480 39.678496 BFGS: 298 08:50:22 3740.430930 39.605113 BFGS: 299 08:50:22 3735.253667 39.532301 BFGS: 300 08:50:22 3730.114822 39.460053 BFGS: 301 08:50:22 3725.013697 39.388202 BFGS: 302 08:50:22 3719.949551 39.316745 BFGS: 303 08:50:22 3714.921542 39.245670 BFGS: 304 08:50:22 3709.928855 39.174941 BFGS: 305 08:50:22 3704.970737 39.104591 BFGS: 306 08:50:22 3700.046516 39.034837 BFGS: 307 08:50:22 3695.155784 38.965380 BFGS: 308 08:50:22 3690.297820 38.896213 BFGS: 309 08:50:22 3685.471924 38.827377 BFGS: 310 08:50:22 3680.677452 38.758914 BFGS: 311 08:50:22 3675.913835 38.690713 BFGS: 312 08:50:23 3671.180431 38.622765 BFGS: 313 08:50:24 3666.476604 38.555074 BFGS: 314 08:50:26 3661.801654 38.487624 BFGS: 315 08:50:27 3657.154952 38.420416 BFGS: 316 08:50:28 3652.535914 38.353434 BFGS: 317 08:50:28 3647.943937 38.286725 BFGS: 318 08:50:28 3643.378496 38.220296 BFGS: 319 08:50:30 3638.838924 38.154074 BFGS: 320 08:50:30 3634.324675 38.088047 BFGS: 321 08:50:30 3629.835203 38.022208 BFGS: 322 08:50:31 3625.369979 37.956550 BFGS: 323 08:50:32 3620.928480 37.891068 BFGS: 324 08:50:33 3616.510198 37.825755 BFGS: 325 08:50:36 3612.114630 37.760610 BFGS: 326 08:50:38 3607.741284 37.695626 BFGS: 327 08:50:39 3603.389676 37.630796 BFGS: 328 08:50:42 3599.059335 37.566181 BFGS: 329 08:50:46 3594.749834 37.501972 BFGS: 330 08:50:48 3590.460836 37.437931 BFGS: 331 08:50:49 3586.191852 37.374118 BFGS: 332 08:50:50 3581.942440 37.310606 BFGS: 333 08:50:53 3577.712232 37.247210 BFGS: 334 08:50:56 3573.500794 37.183961 BFGS: 335 08:50:57 3569.307698 37.120965 BFGS: 336 08:50:59 3565.132644 37.058077 BFGS: 337 08:51:00 3560.975206 36.995304 BFGS: 338 08:51:01 3556.834963 36.932649 BFGS: 339 08:51:02 3552.711459 36.870104 BFGS: 340 08:51:03 3548.604266 36.807660 BFGS: 341 08:51:04 3544.513000 36.745445 BFGS: 342 08:51:05 3540.437051 36.683409 BFGS: 343 08:51:05 3536.375962 36.621455 BFGS: 344 08:51:07 3532.329419 36.559586 BFGS: 345 08:51:09 3528.297107 36.497815 BFGS: 346 08:51:12 3524.278680 36.436253 BFGS: 347 08:51:13 3520.273913 36.374908 BFGS: 348 08:51:14 3516.282575 36.313719 BFGS: 349 08:51:15 3512.304361 36.252611 BFGS: 350 08:51:15 3508.338953 36.191577 BFGS: 351 08:51:17 3504.386046 36.130732 BFGS: 352 08:51:17 3500.445173 36.070046 BFGS: 353 08:51:18 3496.515959 36.009420 BFGS: 354 08:51:19 3492.598146 35.948956 BFGS: 355 08:51:19 3488.691454 35.888602 BFGS: 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23.304716 BFGS: 770 08:56:15 2544.210160 23.281319 BFGS: 771 08:56:16 2542.487343 23.257891 BFGS: 772 08:56:16 2540.761696 23.234430 BFGS: 773 08:56:16 2539.033202 23.210934 BFGS: 774 08:56:17 2537.301849 23.187404 BFGS: 775 08:56:17 2535.567623 23.163837 BFGS: 776 08:56:17 2533.830511 23.140235 BFGS: 777 08:56:18 2532.090502 23.116595 BFGS: 778 08:56:18 2530.347581 23.092918 BFGS: 779 08:56:19 2528.601738 23.069203 BFGS: 780 08:56:19 2526.852959 23.045449 BFGS: 781 08:56:20 2525.101230 23.021656 BFGS: 782 08:56:20 2523.346528 22.997952 BFGS: 783 08:56:20 2521.588879 22.974310 BFGS: 784 08:56:21 2519.828000 22.950834 BFGS: 785 08:56:21 2518.063547 22.927412 BFGS: 786 08:56:22 2516.295596 22.903958 BFGS: 787 08:56:22 2514.524051 22.880492 BFGS: 788 08:56:23 2512.748879 22.857015 BFGS: 789 08:56:23 2510.969891 22.833487 BFGS: 790 08:56:24 2509.187099 22.809908 BFGS: 791 08:56:24 2507.400449 22.786275 BFGS: 792 08:56:24 2505.609928 22.762587 BFGS: 793 08:56:25 2503.815505 22.738870 BFGS: 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2457.533583 22.128527 BFGS: 819 08:56:44 2455.613578 22.103495 BFGS: 820 08:56:44 2453.687428 22.078366 BFGS: 821 08:56:44 2451.755123 22.053139 BFGS: 822 08:56:45 2449.816634 22.027815 BFGS: 823 08:56:45 2447.871930 22.002393 BFGS: 824 08:56:45 2445.920975 21.976874 BFGS: 825 08:56:45 2443.963727 21.951256 BFGS: 826 08:56:46 2442.000143 21.925538 BFGS: 827 08:56:47 2440.030178 21.899720 BFGS: 828 08:56:49 2438.053783 21.873801 BFGS: 829 08:56:49 2436.070908 21.847779 BFGS: 830 08:56:50 2434.081499 21.821654 BFGS: 831 08:56:50 2432.085504 21.795425 BFGS: 832 08:56:51 2430.082867 21.769091 BFGS: 833 08:56:52 2428.073474 21.742708 BFGS: 834 08:56:52 2426.055309 21.716147 BFGS: 835 08:56:53 2424.029476 21.689457 BFGS: 836 08:56:54 2421.995534 21.662626 BFGS: 837 08:56:54 2419.953766 21.635689 BFGS: 838 08:56:56 2417.904015 21.608692 BFGS: 839 08:56:56 2415.846492 21.581652 BFGS: 840 08:56:57 2413.781227 21.554499 BFGS: 841 08:56:57 2411.708295 21.527250 BFGS: 842 08:56:58 2409.629043 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2297.162118 20.652888 BFGS: 892 08:57:21 2294.637741 20.634089 BFGS: 893 08:57:21 2292.106894 20.615261 BFGS: 894 08:57:22 2289.570932 20.596112 BFGS: 895 08:57:22 2287.028954 20.576706 BFGS: 896 08:57:22 2284.482690 20.557319 BFGS: 897 08:57:22 2281.935310 20.537601 BFGS: 898 08:57:23 2279.384817 20.517568 BFGS: 899 08:57:23 2276.832805 20.497207 BFGS: 900 08:57:23 2274.279131 20.476527 BFGS: 901 08:57:23 2271.724665 20.455796 BFGS: 902 08:57:23 2269.168236 20.434897 BFGS: 903 08:57:23 2266.609719 20.413674 BFGS: 904 08:57:24 2264.049975 20.392256 BFGS: 905 08:57:24 2261.490297 20.370607 BFGS: 906 08:57:24 2258.932943 20.348901 BFGS: 907 08:57:25 2256.377884 20.326930 BFGS: 908 08:57:25 2253.827011 20.304683 BFGS: 909 08:57:26 2251.282439 20.282242 BFGS: 910 08:57:26 2248.902354 20.264305 BFGS: 911 08:57:27 2246.462350 20.243624 BFGS: 912 08:57:28 2244.249050 20.226713 BFGS: 913 08:57:28 2241.832598 20.202923 BFGS: 914 08:57:28 2239.412729 20.179731 BFGS: 915 08:57:28 2236.993984 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2134.893761 18.903401 BFGS: 965 08:57:47 2133.014857 18.878265 BFGS: 966 08:57:47 2131.140829 18.853149 BFGS: 967 08:57:48 2129.271613 18.828108 BFGS: 968 08:57:49 2127.407714 18.803093 BFGS: 969 08:57:50 2125.548332 18.778090 BFGS: 970 08:57:51 2123.693538 18.753101 BFGS: 971 08:57:52 2121.843341 18.728129 BFGS: 972 08:57:53 2119.997738 18.703175 BFGS: 973 08:57:53 2118.156720 18.678241 BFGS: 974 08:57:53 2116.320276 18.653346 BFGS: 975 08:57:54 2114.488229 18.628515 BFGS: 976 08:57:54 2112.660332 18.603696 BFGS: 977 08:57:55 2110.836933 18.578895 BFGS: 978 08:57:55 2109.018276 18.554116 BFGS: 979 08:57:55 2107.204227 18.529360 BFGS: 980 08:57:56 2105.394698 18.504628 BFGS: 981 08:57:56 2103.589706 18.479922 BFGS: 982 08:57:58 2101.789255 18.455243 BFGS: 983 08:57:58 2099.993347 18.430704 BFGS: 984 08:57:59 2098.201652 18.406210 BFGS: 985 08:58:00 2096.414606 18.381865 BFGS: 986 08:58:00 2094.632725 18.357583 BFGS: 987 08:58:01 2092.855242 18.333440 BFGS: 988 08:58:02 2091.081377 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2011.594255 17.260552 BFGS: 1037 08:58:41 2010.060748 17.247725 BFGS: 1038 08:58:42 2008.532363 17.234912 BFGS: 1039 08:58:42 2007.009100 17.222114 BFGS: 1040 08:58:42 2005.490955 17.209330 BFGS: 1041 08:58:42 2003.977925 17.196562 BFGS: 1042 08:58:42 2002.470006 17.183809 BFGS: 1043 08:58:43 2000.967193 17.171079 BFGS: 1044 08:58:44 1999.469567 17.158411 BFGS: 1045 08:58:45 1997.977484 17.145762 BFGS: 1046 08:58:46 1996.490415 17.133133 BFGS: 1047 08:58:47 1995.008443 17.120522 BFGS: 1048 08:58:47 1993.531514 17.107929 BFGS: 1049 08:58:48 1992.059622 17.095353 BFGS: 1050 08:58:49 1990.592751 17.082836 BFGS: 1051 08:58:49 1989.130804 17.070558 BFGS: 1052 08:58:50 1987.673486 17.058310 BFGS: 1053 08:58:50 1986.221222 17.046082 BFGS: 1054 08:58:51 1984.773836 17.033874 BFGS: 1055 08:58:52 1983.331355 17.021686 BFGS: 1056 08:58:53 1981.893745 17.009535 BFGS: 1057 08:58:53 1980.460895 16.997457 BFGS: 1058 08:58:54 1979.032133 16.985398 BFGS: 1059 08:58:55 1977.607674 16.973348 BFGS: 1060 08:58:56 1976.187877 16.961310 BFGS: 1061 08:58:56 1974.772802 16.949299 BFGS: 1062 08:58:57 1973.362374 16.937338 BFGS: 1063 08:58:58 1971.956520 16.925401 BFGS: 1064 08:58:59 1970.555413 16.913613 BFGS: 1065 08:58:59 1969.158592 16.901930 BFGS: 1066 08:58:59 1967.766375 16.890266 BFGS: 1067 08:59:00 1966.378814 16.878619 BFGS: 1068 08:59:00 1964.995853 16.867016 BFGS: 1069 08:59:01 1963.617711 16.855427 BFGS: 1070 08:59:01 1962.244082 16.843854 BFGS: 1071 08:59:02 1960.875007 16.832296 BFGS: 1072 08:59:02 1959.510456 16.820756 BFGS: 1073 08:59:02 1958.150418 16.809243 BFGS: 1074 08:59:03 1956.794762 16.797751 BFGS: 1075 08:59:03 1955.443549 16.786275 BFGS: 1076 08:59:04 1954.096766 16.774815 BFGS: 1077 08:59:05 1952.754400 16.763374 BFGS: 1078 08:59:05 1951.416427 16.751951 BFGS: 1079 08:59:06 1950.082826 16.740546 BFGS: 1080 08:59:06 1948.753574 16.729159 BFGS: 1081 08:59:07 1947.428645 16.717792 BFGS: 1082 08:59:08 1946.108014 16.706443 BFGS: 1083 08:59:10 1944.791657 16.695114 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1391.863073 11.775426 BFGS: 1512 09:03:05 1391.069115 11.763531 BFGS: 1513 09:03:05 1390.274906 11.751623 BFGS: 1514 09:03:06 1389.480472 11.739865 BFGS: 1515 09:03:06 1388.685677 11.728110 BFGS: 1516 09:03:06 1387.891089 11.716696 BFGS: 1517 09:03:06 1387.095476 11.705309 BFGS: 1518 09:03:06 1386.299556 11.693880 BFGS: 1519 09:03:06 1385.502715 11.682435 BFGS: 1520 09:03:06 1384.705496 11.670975 BFGS: 1521 09:03:06 1383.907260 11.659505 BFGS: 1522 09:03:06 1383.108381 11.647998 BFGS: 1523 09:03:06 1382.308663 11.636470 BFGS: 1524 09:03:07 1381.508429 11.624913 BFGS: 1525 09:03:08 1380.707498 11.613337 BFGS: 1526 09:03:08 1379.906073 11.601736 BFGS: 1527 09:03:09 1379.104019 11.590116 BFGS: 1528 09:03:09 1378.301475 11.578474 BFGS: 1529 09:03:09 1377.498345 11.566814 BFGS: 1530 09:03:09 1376.694726 11.555134 BFGS: 1531 09:03:09 1375.890553 11.543435 BFGS: 1532 09:03:10 1375.085893 11.531718 BFGS: 1533 09:03:10 1374.280701 11.519982 BFGS: 1534 09:03:10 1373.475028 11.508228 BFGS: 1535 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1118.361850 9.691799 BFGS: 1821 09:04:51 1116.575436 9.666851 BFGS: 1822 09:04:52 1114.776401 9.641533 BFGS: 1823 09:04:52 1112.967780 9.615925 BFGS: 1824 09:04:52 1111.152205 9.590377 BFGS: 1825 09:04:53 1109.333091 9.564799 BFGS: 1826 09:04:53 1107.511041 9.539311 BFGS: 1827 09:04:53 1105.687545 9.513701 BFGS: 1828 09:04:54 1103.864669 9.487907 BFGS: 1829 09:04:54 1102.042111 9.462107 BFGS: 1830 09:04:55 1100.224271 9.436377 BFGS: 1831 09:04:56 1098.413784 9.410819 BFGS: 1832 09:04:57 1096.612859 9.385426 BFGS: 1833 09:04:58 1094.823124 9.360460 BFGS: 1834 09:04:59 1093.045333 9.335829 BFGS: 1835 09:04:59 1091.280791 9.311454 BFGS: 1836 09:05:00 1089.530573 9.287386 BFGS: 1837 09:05:00 1087.795280 9.263658 BFGS: 1838 09:05:00 1086.075212 9.240292 BFGS: 1839 09:05:00 1084.370404 9.217308 BFGS: 1840 09:05:01 1082.680669 9.194713 BFGS: 1841 09:05:01 1081.005639 9.172535 BFGS: 1842 09:05:01 1079.344645 9.150811 BFGS: 1843 09:05:01 1077.696484 9.129491 BFGS: 1844 09:05:01 1076.060880 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1003.918894 8.356789 BFGS: 1894 09:05:21 1002.581461 8.345039 BFGS: 1895 09:05:21 1001.252949 8.333363 BFGS: 1896 09:05:21 999.933977 8.321763 BFGS: 1897 09:05:22 998.625197 8.310243 BFGS: 1898 09:05:22 997.327547 8.298814 BFGS: 1899 09:05:22 996.042000 8.287487 BFGS: 1900 09:05:23 994.769015 8.276336 BFGS: 1901 09:05:23 993.508718 8.265300 BFGS: 1902 09:05:23 992.261553 8.254527 BFGS: 1903 09:05:23 991.028674 8.244051 BFGS: 1904 09:05:24 989.810563 8.233858 BFGS: 1905 09:05:25 988.607875 8.223816 BFGS: 1906 09:05:26 987.421351 8.213869 BFGS: 1907 09:05:27 986.251552 8.204030 BFGS: 1908 09:05:29 985.098992 8.194307 BFGS: 1909 09:05:29 983.964161 8.184701 BFGS: 1910 09:05:30 982.847469 8.175233 BFGS: 1911 09:05:31 981.749113 8.165895 BFGS: 1912 09:05:31 980.669332 8.156678 BFGS: 1913 09:05:31 979.608297 8.147676 BFGS: 1914 09:05:32 978.566026 8.139011 BFGS: 1915 09:05:32 977.542525 8.130454 BFGS: 1916 09:05:32 976.537459 8.122012 BFGS: 1917 09:05:32 975.550480 8.113689 BFGS: 1918 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09:05:52 938.832805 7.817375 BFGS: 1969 09:05:53 938.234021 7.812509 BFGS: 1970 09:05:53 937.637158 7.807628 BFGS: 1971 09:05:53 937.042207 7.802731 BFGS: 1972 09:05:54 936.449166 7.797821 BFGS: 1973 09:05:54 935.858042 7.792898 BFGS: 1974 09:05:55 935.268850 7.787962 BFGS: 1975 09:05:56 934.681613 7.783046 BFGS: 1976 09:05:58 934.096410 7.778164 BFGS: 1977 09:06:00 933.513321 7.773274 BFGS: 1978 09:06:01 932.932340 7.768376 BFGS: 1979 09:06:01 932.353489 7.763472 BFGS: 1980 09:06:02 931.776805 7.758562 BFGS: 1981 09:06:02 931.202334 7.753650 BFGS: 1982 09:06:03 930.630126 7.748735 BFGS: 1983 09:06:04 930.060199 7.743836 BFGS: 1984 09:06:05 929.492790 7.738958 BFGS: 1985 09:06:06 928.927951 7.734091 BFGS: 1986 09:06:06 928.365512 7.729229 BFGS: 1987 09:06:07 927.805438 7.724370 BFGS: 1988 09:06:07 927.247756 7.719518 BFGS: 1989 09:06:08 926.692517 7.714673 BFGS: 1990 09:06:10 926.139782 7.709837 BFGS: 1991 09:06:11 925.589489 7.705010 BFGS: 1992 09:06:11 925.041640 7.700195 BFGS: 1993 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09:51:25 57.364778 1.091874 BFGS: 9298 09:51:25 57.357446 1.091291 BFGS: 9299 09:51:25 57.350266 1.090943 BFGS: 9300 09:51:25 57.343146 1.090800 BFGS: 9301 09:51:26 57.336023 1.090835 BFGS: 9302 09:51:26 57.328853 1.091024 BFGS: 9303 09:51:26 57.321592 1.091344 BFGS: 9304 09:51:26 57.314265 1.091515 BFGS: 9305 09:51:26 57.306949 1.091467 BFGS: 9306 09:51:26 57.299602 1.091399 BFGS: 9307 09:51:26 57.292228 1.091342 BFGS: 9308 09:51:26 57.284827 1.091297 BFGS: 9309 09:51:27 57.277403 1.091261 BFGS: 9310 09:51:27 57.269956 1.091229 BFGS: 9311 09:51:27 57.262488 1.091196 BFGS: 9312 09:51:27 57.255001 1.091156 BFGS: 9313 09:51:27 57.247496 1.091105 BFGS: 9314 09:51:27 57.239975 1.091039 BFGS: 9315 09:51:27 57.232440 1.090955 BFGS: 9316 09:51:28 57.224892 1.090849 BFGS: 9317 09:51:28 57.217333 1.090718 BFGS: 9318 09:51:28 57.209763 1.090561 BFGS: 9319 09:51:28 57.202169 1.090384 BFGS: 9320 09:51:28 57.194557 1.090179 BFGS: 9321 09:51:28 57.186930 1.089945 BFGS: 9322 09:51:28 57.179291 1.089680 BFGS: 9323 09:51:29 57.171642 1.089383 BFGS: 9324 09:51:29 57.163987 1.089053 BFGS: 9325 09:51:29 57.156326 1.088690 BFGS: 9326 09:51:29 57.148660 1.088293 BFGS: 9327 09:51:29 57.140992 1.087862 BFGS: 9328 09:51:29 57.133322 1.087396 BFGS: 9329 09:51:30 57.125650 1.086897 BFGS: 9330 09:51:30 57.117977 1.086363 BFGS: 9331 09:51:30 57.110302 1.085795 BFGS: 9332 09:51:30 57.102626 1.085194 BFGS: 9333 09:51:30 57.094948 1.084560 BFGS: 9334 09:51:30 57.087268 1.083894 BFGS: 9335 09:51:30 57.079585 1.083197 BFGS: 9336 09:51:30 57.071900 1.082470 BFGS: 9337 09:51:30 57.064212 1.081717 BFGS: 9338 09:51:30 57.056507 1.080944 BFGS: 9339 09:51:30 57.048775 1.080152 BFGS: 9340 09:51:30 57.041004 1.079340 BFGS: 9341 09:51:30 57.033185 1.078508 BFGS: 9342 09:51:30 57.025306 1.077658 BFGS: 9343 09:51:30 57.017358 1.076788 BFGS: 9344 09:51:30 57.009332 1.075900 BFGS: 9345 09:51:30 57.001217 1.074994 BFGS: 9346 09:51:31 56.993007 1.074069 BFGS: 9347 09:51:31 56.984691 1.073127 BFGS: 9348 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0.921131 BFGS: 9425 09:51:51 55.614353 0.918418 BFGS: 9426 09:51:52 55.589558 0.915705 BFGS: 9427 09:51:52 55.564657 0.912992 BFGS: 9428 09:51:53 55.539649 0.910279 BFGS: 9429 09:51:54 55.514534 0.907567 BFGS: 9430 09:51:54 55.489312 0.904855 BFGS: 9431 09:51:55 55.463984 0.902143 BFGS: 9432 09:51:56 55.438549 0.899432 BFGS: 9433 09:51:56 55.413007 0.896722 BFGS: 9434 09:51:57 55.387358 0.894012 BFGS: 9435 09:51:58 55.361601 0.891303 BFGS: 9436 09:51:59 55.335736 0.888594 BFGS: 9437 09:52:00 55.309762 0.885886 BFGS: 9438 09:52:01 55.283680 0.883178 BFGS: 9439 09:52:02 55.257488 0.880471 BFGS: 9440 09:52:03 55.231186 0.877763 BFGS: 9441 09:52:04 55.204772 0.875055 BFGS: 9442 09:52:05 55.178220 0.872343 BFGS: 9443 09:52:05 55.151511 0.869619 BFGS: 9444 09:52:05 55.124650 0.866890 BFGS: 9445 09:52:05 55.097643 0.864158 BFGS: 9446 09:52:06 55.070495 0.861432 BFGS: 9447 09:52:06 55.043209 0.858713 BFGS: 9448 09:52:07 55.015777 0.855996 BFGS: 9449 09:52:09 54.988197 0.853277 BFGS: 9450 09:52:09 54.960468 0.850556 BFGS: 9451 09:52:09 54.932590 0.847835 BFGS: 9452 09:52:09 54.904562 0.845115 BFGS: 9453 09:52:10 54.876386 0.842396 BFGS: 9454 09:52:11 54.848062 0.839678 BFGS: 9455 09:52:11 54.819591 0.836963 BFGS: 9456 09:52:12 54.790973 0.834252 BFGS: 9457 09:52:12 54.762209 0.831544 BFGS: 9458 09:52:12 54.733300 0.828842 BFGS: 9459 09:52:13 54.704246 0.826144 BFGS: 9460 09:52:13 54.675048 0.823451 BFGS: 9461 09:52:13 54.645707 0.820765 BFGS: 9462 09:52:14 54.616223 0.818085 BFGS: 9463 09:52:14 54.586597 0.815412 BFGS: 9464 09:52:14 54.556830 0.812747 BFGS: 9465 09:52:14 54.526923 0.810089 BFGS: 9466 09:52:14 54.496876 0.807440 BFGS: 9467 09:52:14 54.466691 0.804799 BFGS: 9468 09:52:14 54.436368 0.802168 BFGS: 9469 09:52:14 54.405908 0.799545 BFGS: 9470 09:52:15 54.375312 0.796933 BFGS: 9471 09:52:15 54.344580 0.794331 BFGS: 9472 09:52:15 54.313715 0.791740 BFGS: 9473 09:52:15 54.282716 0.789160 BFGS: 9474 09:52:16 54.251585 0.786591 BFGS: 9475 09:52:16 54.220323 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0.643193 BFGS: 9833 09:55:01 37.429031 0.647569 BFGS: 9834 09:55:02 37.394990 0.648469 BFGS: 9835 09:55:02 37.371452 0.647314 BFGS: 9836 09:55:02 37.350312 0.645773 BFGS: 9837 09:55:02 37.330515 0.643972 BFGS: 9838 09:55:02 37.311611 0.641966 BFGS: 9839 09:55:02 37.293375 0.639785 BFGS: 9840 09:55:02 37.275686 0.637456 BFGS: 9841 09:55:02 37.258473 0.635000 BFGS: 9842 09:55:02 37.241694 0.632437 BFGS: 9843 09:55:02 37.225322 0.629783 BFGS: 9844 09:55:03 37.209339 0.627054 BFGS: 9845 09:55:03 37.193734 0.624263 BFGS: 9846 09:55:03 37.178497 0.621421 BFGS: 9847 09:55:03 37.163623 0.618537 BFGS: 9848 09:55:03 37.149106 0.615619 BFGS: 9849 09:55:03 37.134940 0.612675 BFGS: 9850 09:55:03 37.121120 0.609711 BFGS: 9851 09:55:04 37.107642 0.606732 BFGS: 9852 09:55:04 37.094501 0.603741 BFGS: 9853 09:55:04 37.081692 0.600744 BFGS: 9854 09:55:04 37.069209 0.597744 BFGS: 9855 09:55:04 37.057046 0.594742 BFGS: 9856 09:55:04 37.045198 0.591742 BFGS: 9857 09:55:04 37.033658 0.588747 BFGS: 9858 09:55:05 37.022437 0.585756 BFGS: 9859 09:55:05 37.011603 0.582863 BFGS: 9860 09:55:05 37.001119 0.580063 BFGS: 9861 09:55:05 36.990967 0.577305 BFGS: 9862 09:55:05 36.981148 0.574577 BFGS: 9863 09:55:05 36.971660 0.571863 BFGS: 9864 09:55:05 36.962505 0.569158 BFGS: 9865 09:55:05 36.953680 0.566455 BFGS: 9866 09:55:06 36.945185 0.563750 BFGS: 9867 09:55:06 36.937017 0.561041 BFGS: 9868 09:55:06 36.929170 0.558326 BFGS: 9869 09:55:07 36.921639 0.555603 BFGS: 9870 09:55:07 36.914415 0.552870 BFGS: 9871 09:55:07 36.907487 0.550125 BFGS: 9872 09:55:07 36.900836 0.547365 BFGS: 9873 09:55:08 36.894439 0.544586 BFGS: 9874 09:55:09 36.888258 0.541780 BFGS: 9875 09:55:10 36.882236 0.538936 BFGS: 9876 09:55:10 36.876271 0.536033 BFGS: 9877 09:55:10 36.870166 0.533027 BFGS: 9878 09:55:10 36.863921 0.530077 BFGS: 9879 09:55:11 36.857696 0.527682 BFGS: 9880 09:55:11 36.850524 0.526029 BFGS: 9881 09:55:11 36.841149 0.525464 BFGS: 9882 09:55:12 36.832981 0.526285 BFGS: 9883 09:55:12 36.826913 0.527599 BFGS: 9884 09:55:13 36.821684 0.529147 BFGS: 9885 09:55:13 36.816982 0.530824 BFGS: 9886 09:55:13 36.812699 0.532566 BFGS: 9887 09:55:13 36.808787 0.534326 BFGS: 9888 09:55:14 36.805216 0.536065 BFGS: 9889 09:55:14 36.801965 0.537750 BFGS: 9890 09:55:14 36.799011 0.539347 BFGS: 9891 09:55:14 36.796333 0.540823 BFGS: 9892 09:55:14 36.793903 0.542142 BFGS: 9893 09:55:14 36.791693 0.543261 BFGS: 9894 09:55:15 36.789665 0.544125 BFGS: 9895 09:55:16 36.787772 0.544662 BFGS: 9896 09:55:17 36.785953 0.544776 BFGS: 9897 09:55:17 36.784127 0.544335 BFGS: 9898 09:55:17 36.782182 0.543160 BFGS: 9899 09:55:18 36.779975 0.541003 BFGS: 9900 09:55:18 36.777311 0.537510 BFGS: 9901 09:55:18 36.773915 0.532097 BFGS: 9902 09:55:19 36.769307 0.529306 BFGS: 9903 09:55:20 36.762299 0.531392 BFGS: 9904 09:55:21 36.756083 0.531209 BFGS: 9905 09:55:21 36.752345 0.529503 BFGS: 9906 09:55:22 36.749781 0.527854 BFGS: 9907 09:55:22 36.747606 0.526299 BFGS: 9908 09:55:22 36.745644 0.524889 BFGS: 9909 09:55:23 36.743770 0.523698 BFGS: 9910 09:55:23 36.741777 0.522888 BFGS: 9911 09:55:24 36.739128 0.522951 BFGS: 9912 09:55:24 36.735822 0.524771 BFGS: 9913 09:55:25 36.730187 0.530092 BFGS: 9914 09:55:26 36.727138 0.533147 BFGS: 9915 09:55:26 36.724568 0.535394 BFGS: 9916 09:55:26 36.722167 0.537209 BFGS: 9917 09:55:26 36.719837 0.538644 BFGS: 9918 09:55:27 36.717495 0.539581 BFGS: 9919 09:55:28 36.715698 0.538857 BFGS: 9920 09:55:28 36.714148 0.533916 BFGS: 9921 09:55:29 36.712803 0.529817 BFGS: 9922 09:55:29 36.711316 0.525512 BFGS: 9923 09:55:29 36.710387 0.526317 BFGS: 9924 09:55:29 36.709953 0.526353 BFGS: 9925 09:55:30 36.709372 0.526178 BFGS: 9926 09:55:30 36.708861 0.525887 BFGS: 9927 09:55:30 36.708398 0.525688 BFGS: 9928 09:55:30 36.708110 0.525944 BFGS: 9929 09:55:30 36.707801 0.526836 BFGS: 9930 09:55:30 36.707377 0.528657 BFGS: 9931 09:55:30 36.706804 0.531452 BFGS: 9932 09:55:31 36.706295 0.533535 BFGS: 9933 09:55:31 36.705973 0.533469 BFGS: 9934 09:55:31 36.705757 0.531742 BFGS: 9935 09:55:31 36.705553 0.528859 BFGS: 9936 09:55:32 36.705378 0.525903 BFGS: 9937 09:55:32 36.705267 0.524502 BFGS: 9938 09:55:32 36.705200 0.524760 BFGS: 9939 09:55:32 36.705145 0.526121 BFGS: 9940 09:55:32 36.705095 0.528255 BFGS: 9941 09:55:33 36.705056 0.530381 BFGS: 9942 09:55:34 36.705032 0.531622 BFGS: 9943 09:55:34 36.705015 0.532090 BFGS: 9944 09:55:34 36.705001 0.532102 BFGS: 9945 09:55:34 36.704991 0.531851 BFGS: 9946 09:55:35 36.704984 0.531557 BFGS: 9947 09:55:35 36.704981 0.531371 BFGS: 9948 09:55:35 36.704979 0.531282 BFGS: 9949 09:55:36 36.704977 0.531255 BFGS: 9950 09:55:36 36.704976 0.531267 BFGS: 9951 09:55:37 36.704975 0.531300 BFGS: 9952 09:55:37 36.704975 0.531334 BFGS: 9953 09:55:38 36.704974 0.531356 BFGS: 9954 09:55:38 36.704974 0.531364 BFGS: 9955 09:55:38 36.704973 0.531351 BFGS: 9956 09:55:40 36.704973 0.531324 BFGS: 9957 09:55:41 36.704973 0.531296 BFGS: 9958 09:55:41 36.704973 0.531271 BFGS: 9959 09:55:41 36.704973 0.531252 BFGS: 9960 09:55:41 36.704973 0.531237 BFGS: 9961 09:55:42 36.704973 0.531227 BFGS: 9962 09:55:42 36.704973 0.531220 BFGS: 9963 09:55:42 36.704973 0.531216 BFGS: 9964 09:55:42 36.704973 0.531213 BFGS: 9965 09:55:42 36.704973 0.531212 BFGS: 9966 09:55:42 36.704973 0.531212 BFGS: 9967 09:55:42 36.704973 0.531211 BFGS: 9968 09:55:42 36.704973 0.531211 BFGS: 9969 09:55:43 36.704973 0.531211 BFGS: 9970 09:55:44 36.704973 0.531211 BFGS: 9971 09:55:45 36.704973 0.531211 BFGS: 9972 09:55:46 36.704973 0.531210 BFGS: 9973 09:55:46 36.704973 0.531210 BFGS: 9974 09:55:47 36.704973 0.531209 BFGS: 9975 09:55:48 36.704973 0.531207 BFGS: 9976 09:55:49 36.704973 0.531204 BFGS: 9977 09:55:49 36.704973 0.531200 BFGS: 9978 09:55:49 36.704973 0.531193 BFGS: 9979 09:55:50 36.704973 0.531183 BFGS: 9980 09:55:50 36.704973 0.531167 BFGS: 9981 09:55:51 36.704973 0.531144 BFGS: 9982 09:55:51 36.704973 0.531108 BFGS: 9983 09:55:52 36.704972 0.531054 BFGS: 9984 09:55:52 36.704971 0.530973 BFGS: 9985 09:55:52 36.704967 0.530851 BFGS: 9986 09:55:52 36.704957 0.530667 BFGS: 9987 09:55:52 36.704931 0.530393 BFGS: 9988 09:55:53 36.704864 0.529980 BFGS: 9989 09:55:53 36.704688 0.529359 BFGS: 9990 09:55:53 36.704229 0.528418 BFGS: 9991 09:55:53 36.703031 0.526976 BFGS: 9992 09:55:53 36.699900 0.524719 BFGS: 9993 09:55:53 36.691730 0.537667 BFGS: 9994 09:55:53 36.670466 0.557711 BFGS: 9995 09:55:54 36.621825 0.580576 BFGS: 9996 09:55:54 36.549842 0.593765 BFGS: 9997 09:55:54 36.452903 0.597856 BFGS: 9998 09:55:54 36.333523 0.594151 BFGS: 9999 09:55:54 36.195015 0.583882 BFGS: 10000 09:55:54 36.040580 0.568053 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.16911425666407248 eV/Angstrom Maximum stress component: 0.00492504415219872 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.00000000e+00 9.04995002e-01 3.48906088e-01] [0.00000000e+00 9.50049984e-02 3.48906088e-01] [5.95627169e-31 9.04995002e-01 6.51093912e-01] [1.73760635e-32 9.50049984e-02 6.51093912e-01] [5.00000000e-01 4.04995002e-01 8.48906088e-01] [5.00000000e-01 5.95004998e-01 8.48906088e-01] [5.00000000e-01 4.04995002e-01 1.51093912e-01] [5.00000000e-01 5.95004998e-01 1.51093912e-01] [5.77826661e-01 7.21438465e-01 1.94349764e-16] [4.22173339e-01 2.78561535e-01 1.94349764e-16] [4.22173339e-01 7.21438465e-01 1.94349764e-16] [5.77826661e-01 2.78561535e-01 1.94349764e-16] [7.78266614e-02 2.21438465e-01 5.00000000e-01] [9.22173339e-01 7.78561535e-01 5.00000000e-01] [9.22173339e-01 2.21438465e-01 5.00000000e-01] [7.78266614e-02 7.78561535e-01 5.00000000e-01] [9.37676935e-01 0.00000000e+00 1.23489475e-01] [6.23230648e-02 0.00000000e+00 1.23489475e-01] [6.23230648e-02 0.00000000e+00 8.76510525e-01] [9.37676935e-01 0.00000000e+00 8.76510525e-01] [4.37676935e-01 5.00000000e-01 6.23489475e-01] [5.62323065e-01 5.00000000e-01 6.23489475e-01] [5.62323065e-01 5.00000000e-01 3.76510525e-01] [4.37676935e-01 5.00000000e-01 3.76510525e-01] [4.20633157e-01 8.96893065e-02 6.14580878e-01] [5.79366843e-01 9.10310694e-01 6.14580878e-01] [5.79366843e-01 8.96893065e-02 3.85419122e-01] [4.20633157e-01 9.10310694e-01 3.85419122e-01] [9.20633157e-01 5.89689306e-01 1.14580878e-01] [7.93668434e-02 4.10310694e-01 1.14580878e-01] [7.93668434e-02 5.89689306e-01 8.85419122e-01] [9.20633157e-01 4.10310694e-01 8.85419122e-01] [5.79366843e-01 9.10310694e-01 3.85419122e-01] [4.20633157e-01 8.96893065e-02 3.85419122e-01] [4.20633157e-01 9.10310694e-01 6.14580878e-01] [5.79366843e-01 8.96893065e-02 6.14580878e-01] [7.93668434e-02 4.10310694e-01 8.85419122e-01] [9.20633157e-01 5.89689306e-01 8.85419122e-01] [9.20633157e-01 4.10310694e-01 1.14580878e-01] [7.93668434e-02 5.89689306e-01 1.14580878e-01] [1.89600567e-01 9.75201625e-02 8.84598443e-01] [8.10399433e-01 9.02479837e-01 8.84598443e-01] [8.10399433e-01 9.75201625e-02 1.15401557e-01] [1.89600567e-01 9.02479837e-01 1.15401557e-01] [6.89600567e-01 5.97520163e-01 3.84598443e-01] [3.10399433e-01 4.02479837e-01 3.84598443e-01] [3.10399433e-01 5.97520163e-01 6.15401557e-01] [6.89600567e-01 4.02479837e-01 6.15401557e-01] [8.10399433e-01 9.02479837e-01 1.15401557e-01] [1.89600567e-01 9.75201625e-02 1.15401557e-01] [1.89600567e-01 9.02479837e-01 8.84598443e-01] [8.10399433e-01 9.75201625e-02 8.84598443e-01] [3.10399433e-01 4.02479837e-01 6.15401557e-01] [6.89600567e-01 5.97520163e-01 6.15401557e-01] [6.89600567e-01 4.02479837e-01 3.84598443e-01] [3.10399433e-01 5.97520163e-01 3.84598443e-01] [4.19442421e-01 2.69900304e-01 6.52374514e-01] [5.80557579e-01 7.30099696e-01 6.52374514e-01] [5.80557579e-01 2.69900304e-01 3.47625486e-01] [4.19442421e-01 7.30099696e-01 3.47625486e-01] [9.19442421e-01 7.69900304e-01 1.52374514e-01] [8.05575791e-02 2.30099696e-01 1.52374514e-01] [8.05575791e-02 7.69900304e-01 8.47625486e-01] [9.19442421e-01 2.30099696e-01 8.47625486e-01] [5.80557579e-01 7.30099696e-01 3.47625486e-01] [4.19442421e-01 2.69900304e-01 3.47625486e-01] [4.19442421e-01 7.30099696e-01 6.52374514e-01] [5.80557579e-01 2.69900304e-01 6.52374514e-01] [8.05575791e-02 2.30099696e-01 8.47625486e-01] [9.19442421e-01 7.69900304e-01 8.47625486e-01] [9.19442421e-01 2.30099696e-01 1.52374514e-01] [8.05575791e-02 7.69900304e-01 1.52374514e-01] [3.16934520e-01 4.12608579e-01 8.74362860e-01] [6.83065480e-01 5.87391421e-01 8.74362860e-01] [6.83065480e-01 4.12608579e-01 1.25637140e-01] [3.16934520e-01 5.87391421e-01 1.25637140e-01] [8.16934520e-01 9.12608579e-01 3.74362860e-01] [1.83065480e-01 8.73914209e-02 3.74362860e-01] [1.83065480e-01 9.12608579e-01 6.25637140e-01] [8.16934520e-01 8.73914209e-02 6.25637140e-01] [6.83065480e-01 5.87391421e-01 1.25637140e-01] [3.16934520e-01 4.12608579e-01 1.25637140e-01] [3.16934520e-01 5.87391421e-01 8.74362860e-01] [6.83065480e-01 4.12608579e-01 8.74362860e-01] [1.83065480e-01 8.73914209e-02 6.25637140e-01] [8.16934520e-01 9.12608579e-01 6.25637140e-01] [8.16934520e-01 8.73914209e-02 3.74362860e-01] [1.83065480e-01 9.12608579e-01 3.74362860e-01] [4.22082018e-01 8.66328499e-02 8.69771634e-01] [5.77917982e-01 9.13367150e-01 8.69771634e-01] [5.77917982e-01 8.66328499e-02 1.30228366e-01] [4.22082018e-01 9.13367150e-01 1.30228366e-01] [9.22082018e-01 5.86632850e-01 3.69771634e-01] [7.79179816e-02 4.13367150e-01 3.69771634e-01] [7.79179816e-02 5.86632850e-01 6.30228366e-01] [9.22082018e-01 4.13367150e-01 6.30228366e-01] [5.77917982e-01 9.13367150e-01 1.30228366e-01] [4.22082018e-01 8.66328499e-02 1.30228366e-01] [4.22082018e-01 9.13367150e-01 8.69771634e-01] [5.77917982e-01 8.66328499e-02 8.69771634e-01] [7.79179816e-02 4.13367150e-01 6.30228366e-01] [9.22082018e-01 5.86632850e-01 6.30228366e-01] [9.22082018e-01 4.13367150e-01 3.69771634e-01] [7.79179816e-02 5.86632850e-01 3.69771634e-01] [1.99848870e-01 2.88853397e-01 6.42760328e-01] [8.00151130e-01 7.11146603e-01 6.42760328e-01] [8.00151130e-01 2.88853397e-01 3.57239672e-01] [1.99848870e-01 7.11146603e-01 3.57239672e-01] [6.99848870e-01 7.88853397e-01 1.42760328e-01] [3.00151130e-01 2.11146603e-01 1.42760328e-01] [3.00151130e-01 7.88853397e-01 8.57239672e-01] [6.99848870e-01 2.11146603e-01 8.57239672e-01] [8.00151130e-01 7.11146603e-01 3.57239672e-01] [1.99848870e-01 2.88853397e-01 3.57239672e-01] [1.99848870e-01 7.11146603e-01 6.42760328e-01] [8.00151130e-01 2.88853397e-01 6.42760328e-01] [3.00151130e-01 2.11146603e-01 8.57239672e-01] [6.99848870e-01 7.88853397e-01 8.57239672e-01] [6.99848870e-01 2.11146603e-01 1.42760328e-01] [3.00151130e-01 7.88853397e-01 1.42760328e-01]] cellpar = Cell([[39.65646470582733, 0.0, 0.0], [0.0, 30.205811368844795, -1.5254698166335775e-31], [0.0, 6.892955380264959e-31, 23.657961999513788]]) forces = [[ 0.00000000e+00 -5.33960261e-02 -1.15865863e-02] [ 0.00000000e+00 5.33960261e-02 -1.15865863e-02] [ 0.00000000e+00 -5.33960261e-02 1.15865863e-02] [ 0.00000000e+00 5.33960261e-02 1.15865863e-02] [ 0.00000000e+00 -5.33960261e-02 -1.15865863e-02] [ 0.00000000e+00 5.33960261e-02 -1.15865863e-02] [ 0.00000000e+00 -5.33960261e-02 1.15865863e-02] [ 0.00000000e+00 5.33960261e-02 1.15865863e-02] [-1.39447230e-02 7.23760921e-02 -1.09718103e-31] [ 1.39447230e-02 -7.23760921e-02 1.09718103e-31] [ 1.39447230e-02 7.23760921e-02 -1.46168965e-31] [-1.39447230e-02 -7.23760921e-02 -9.07616373e-32] [-1.39447230e-02 7.23760921e-02 -3.65517557e-34] [ 1.39447230e-02 -7.23760921e-02 3.65517557e-34] [ 1.39447230e-02 7.23760921e-02 -1.46168965e-31] [-1.39447230e-02 -7.23760921e-02 -2.91241378e-31] [-1.44471868e-01 1.79381149e-33 6.15670951e-02] [ 1.44471868e-01 1.79381149e-33 6.15670951e-02] [ 1.44471868e-01 -1.79381149e-33 -6.15670951e-02] [-1.44471868e-01 -1.79381149e-33 -6.15670951e-02] [-1.44471868e-01 -9.84104384e-33 6.15670951e-02] [ 1.44471868e-01 1.79381149e-33 6.15670951e-02] [ 1.44471868e-01 -1.79381149e-33 -6.15670951e-02] [-1.44471868e-01 -1.79381149e-33 -6.15670951e-02] [-1.18097964e-01 2.90234255e-02 8.23520162e-02] [ 1.18097964e-01 -2.90234255e-02 8.23520162e-02] [ 1.18097964e-01 2.90234255e-02 -8.23520162e-02] [-1.18097964e-01 -2.90234255e-02 -8.23520162e-02] [-1.18097964e-01 2.90234255e-02 8.23520162e-02] [ 1.18097964e-01 -2.90234255e-02 8.23520162e-02] [ 1.18097964e-01 2.90234255e-02 -8.23520162e-02] [-1.18097964e-01 -2.90234255e-02 -8.23520162e-02] [ 1.18097964e-01 -2.90234255e-02 -8.23520162e-02] [-1.18097964e-01 2.90234255e-02 -8.23520162e-02] [-1.18097964e-01 -2.90234255e-02 8.23520162e-02] [ 1.18097964e-01 2.90234255e-02 8.23520162e-02] [ 1.18097964e-01 -2.90234255e-02 -8.23520162e-02] [-1.18097964e-01 2.90234255e-02 -8.23520162e-02] [-1.18097964e-01 -2.90234255e-02 8.23520162e-02] [ 1.18097964e-01 2.90234255e-02 8.23520162e-02] [ 1.08940513e-01 2.49792265e-02 -7.26836720e-02] [-1.08940513e-01 -2.49792265e-02 -7.26836720e-02] [-1.08940513e-01 2.49792265e-02 7.26836720e-02] [ 1.08940513e-01 -2.49792265e-02 7.26836720e-02] [ 1.08940513e-01 2.49792265e-02 -7.26836720e-02] [-1.08940513e-01 -2.49792265e-02 -7.26836720e-02] [-1.08940513e-01 2.49792265e-02 7.26836720e-02] [ 1.08940513e-01 -2.49792265e-02 7.26836720e-02] [-1.08940513e-01 -2.49792265e-02 7.26836720e-02] [ 1.08940513e-01 2.49792265e-02 7.26836720e-02] [ 1.08940513e-01 -2.49792265e-02 -7.26836720e-02] [-1.08940513e-01 2.49792265e-02 -7.26836720e-02] [-1.08940513e-01 -2.49792265e-02 7.26836720e-02] [ 1.08940513e-01 2.49792265e-02 7.26836720e-02] [ 1.08940513e-01 -2.49792265e-02 -7.26836720e-02] [-1.08940513e-01 2.49792265e-02 -7.26836720e-02] [ 1.98580595e-02 9.83600854e-02 3.61950161e-02] [-1.98580595e-02 -9.83600854e-02 3.61950161e-02] [-1.98580595e-02 9.83600854e-02 -3.61950161e-02] [ 1.98580595e-02 -9.83600854e-02 -3.61950161e-02] [ 1.98580595e-02 9.83600854e-02 3.61950161e-02] [-1.98580595e-02 -9.83600854e-02 3.61950161e-02] [-1.98580595e-02 9.83600854e-02 -3.61950161e-02] [ 1.98580595e-02 -9.83600854e-02 -3.61950161e-02] [-1.98580595e-02 -9.83600854e-02 -3.61950161e-02] [ 1.98580595e-02 9.83600854e-02 -3.61950161e-02] [ 1.98580595e-02 -9.83600854e-02 3.61950161e-02] [-1.98580595e-02 9.83600854e-02 3.61950161e-02] [-1.98580595e-02 -9.83600854e-02 -3.61950161e-02] [ 1.98580595e-02 9.83600854e-02 -3.61950161e-02] [ 1.98580595e-02 -9.83600854e-02 3.61950161e-02] [-1.98580595e-02 9.83600854e-02 3.61950161e-02] [-3.90814083e-02 -1.16755331e-01 -6.24984284e-02] [ 3.90814083e-02 1.16755331e-01 -6.24984284e-02] [ 3.90814083e-02 -1.16755331e-01 6.24984284e-02] [-3.90814083e-02 1.16755331e-01 6.24984284e-02] [-3.90814083e-02 -1.16755331e-01 -6.24984284e-02] [ 3.90814083e-02 1.16755331e-01 -6.24984284e-02] [ 3.90814083e-02 -1.16755331e-01 6.24984284e-02] [-3.90814083e-02 1.16755331e-01 6.24984284e-02] [ 3.90814083e-02 1.16755331e-01 6.24984284e-02] [-3.90814083e-02 -1.16755331e-01 6.24984284e-02] [-3.90814083e-02 1.16755331e-01 -6.24984284e-02] [ 3.90814083e-02 -1.16755331e-01 -6.24984284e-02] [ 3.90814083e-02 1.16755331e-01 6.24984284e-02] [-3.90814083e-02 -1.16755331e-01 6.24984284e-02] [-3.90814083e-02 1.16755331e-01 -6.24984284e-02] [ 3.90814083e-02 -1.16755331e-01 -6.24984284e-02] [-2.15165616e-02 1.69114257e-01 -1.15169210e-02] [ 2.15165616e-02 -1.69114257e-01 -1.15169210e-02] [ 2.15165616e-02 1.69114257e-01 1.15169210e-02] [-2.15165616e-02 -1.69114257e-01 1.15169210e-02] [-2.15165616e-02 1.69114257e-01 -1.15169210e-02] [ 2.15165616e-02 -1.69114257e-01 -1.15169210e-02] [ 2.15165616e-02 1.69114257e-01 1.15169210e-02] [-2.15165616e-02 -1.69114257e-01 1.15169210e-02] [ 2.15165616e-02 -1.69114257e-01 1.15169210e-02] [-2.15165616e-02 1.69114257e-01 1.15169210e-02] [-2.15165616e-02 -1.69114257e-01 -1.15169210e-02] [ 2.15165616e-02 1.69114257e-01 -1.15169210e-02] [ 2.15165616e-02 -1.69114257e-01 1.15169210e-02] [-2.15165616e-02 1.69114257e-01 1.15169210e-02] [-2.15165616e-02 -1.69114257e-01 -1.15169210e-02] [ 2.15165616e-02 1.69114257e-01 -1.15169210e-02] [ 3.23593162e-02 -2.82364846e-02 1.14455386e-01] [-3.23593162e-02 2.82364846e-02 1.14455386e-01] [-3.23593162e-02 -2.82364846e-02 -1.14455386e-01] [ 3.23593162e-02 2.82364846e-02 -1.14455386e-01] [ 3.23593162e-02 -2.82364846e-02 1.14455386e-01] [-3.23593162e-02 2.82364846e-02 1.14455386e-01] [-3.23593162e-02 -2.82364846e-02 -1.14455386e-01] [ 3.23593162e-02 2.82364846e-02 -1.14455386e-01] [-3.23593162e-02 2.82364846e-02 -1.14455386e-01] [ 3.23593162e-02 -2.82364846e-02 -1.14455386e-01] [ 3.23593162e-02 2.82364846e-02 1.14455386e-01] [-3.23593162e-02 -2.82364846e-02 1.14455386e-01] [-3.23593162e-02 2.82364846e-02 -1.14455386e-01] [ 3.23593162e-02 -2.82364846e-02 -1.14455386e-01] [ 3.23593162e-02 2.82364846e-02 1.14455386e-01] [-3.23593162e-02 -2.82364846e-02 1.14455386e-01]] stress = [-3.33722145e-03 -4.92504415e-03 -3.62275329e-03 4.42482770e-35 0.00000000e+00 0.00000000e+00] energy per atom = 0.30033816745499436 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0