element(s): ['Li', 'Si'] AFLOW prototype label: A7B2_oP36_55_ad3g3h_gh Parameter names: ['a', 'b/a', 'c/a', 'x3', 'y3', 'x4', 'y4', 'x5', 'y5', 'x6', 'y6', 'x7', 'y7', 'x8', 'y8', 'x9', 'y9', 'x10', 'y10'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['8.0581', '1.8506348', '0.55478339', '0.67386838', '0.013078921', '0.88514217', '0.8115553', '0.70376493', '0.66724512', '0.55804152', '0.84655953', '0.8787771', '0.64406684', '0.76611265', '0.89767979', '0.58580897', '0.74271637', '0.60021208', '0.56436196'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0. 0.5 0.5 ] [0.67386838 0.01307892 0. ] [0.88514217 0.8115553 0. ] [0.70376493 0.66724512 0. ] [0.8787771 0.64406684 0.5 ] [0.76611265 0.89767979 0.5 ] [0.58580897 0.74271637 0.5 ] [0.55804152 0.84655953 0. ] [0.60021208 0.56436196 0.5 ]] spacegroup = 55 cell = [[8.0581, 0, 0], [0, 14.9126, 0], [0, 0, 4.4705]] ========================================= Step Time Energy fmax BFGS: 0 17:02:05 -270.105844 10.6492 BFGS: 1 17:02:06 -272.668025 10.5653 BFGS: 2 17:02:06 -274.611490 10.5113 BFGS: 3 17:02:06 -276.372088 10.4643 BFGS: 4 17:02:06 -278.045312 10.4255 BFGS: 5 17:02:06 -279.663945 10.3865 BFGS: 6 17:02:06 -281.243094 10.3489 BFGS: 7 17:02:06 -282.790981 10.3128 BFGS: 8 17:02:07 -284.312655 10.2811 BFGS: 9 17:02:07 -285.812729 10.2481 BFGS: 10 17:02:07 -287.292338 10.2159 BFGS: 11 17:02:07 -288.753720 10.1855 BFGS: 12 17:02:07 -290.198170 10.1552 BFGS: 13 17:02:07 -291.626540 10.1249 BFGS: 14 17:02:08 -293.040141 10.0936 BFGS: 15 17:02:08 -294.439551 10.0640 BFGS: 16 17:02:08 -295.826146 10.0331 BFGS: 17 17:02:08 -297.199350 10.0008 BFGS: 18 17:02:08 -298.559855 9.9663 BFGS: 19 17:02:09 -299.907760 9.9307 BFGS: 20 17:02:09 -301.243516 9.8943 BFGS: 21 17:02:09 -302.567229 9.8563 BFGS: 22 17:02:09 -303.879185 9.8194 BFGS: 23 17:02:09 -305.178814 9.7801 BFGS: 24 17:02:09 -306.467131 9.7432 BFGS: 25 17:02:10 -307.743043 9.7002 BFGS: 26 17:02:10 -309.007783 9.6559 BFGS: 27 17:02:10 -310.261137 9.6106 BFGS: 28 17:02:10 -311.503228 9.5638 BFGS: 29 17:02:10 -312.733887 9.5166 BFGS: 30 17:02:10 -313.952707 9.4670 BFGS: 31 17:02:10 -315.159820 9.4178 BFGS: 32 17:02:11 -316.355182 9.3675 BFGS: 33 17:02:11 -317.538493 9.3129 BFGS: 34 17:02:11 -318.709043 9.2557 BFGS: 35 17:02:11 -319.866567 9.1966 BFGS: 36 17:02:11 -321.010754 9.1372 BFGS: 37 17:02:11 -322.141219 9.0754 BFGS: 38 17:02:11 -323.257402 9.0102 BFGS: 39 17:02:11 -324.358731 8.9428 BFGS: 40 17:02:11 -325.444939 8.8736 BFGS: 41 17:02:11 -326.515275 8.8014 BFGS: 42 17:02:11 -327.569101 8.7269 BFGS: 43 17:02:12 -328.606112 8.6497 BFGS: 44 17:02:12 -329.625696 8.5699 BFGS: 45 17:02:12 -330.627415 8.4872 BFGS: 46 17:02:12 -331.610887 8.4028 BFGS: 47 17:02:12 -332.575563 8.3152 BFGS: 48 17:02:12 -333.520979 8.2235 BFGS: 49 17:02:12 -334.446723 8.1288 BFGS: 50 17:02:12 -335.352576 8.0308 BFGS: 51 17:02:12 -336.238310 7.9306 BFGS: 52 17:02:12 -337.103651 7.8260 BFGS: 53 17:02:13 -337.948676 7.7212 BFGS: 54 17:02:13 -338.773106 7.6111 BFGS: 55 17:02:13 -339.577006 7.4970 BFGS: 56 17:02:13 -340.360569 7.3800 BFGS: 57 17:02:13 -341.123633 7.2591 BFGS: 58 17:02:13 -341.866481 7.1344 BFGS: 59 17:02:13 -342.588990 7.0059 BFGS: 60 17:02:14 -343.291258 6.8781 BFGS: 61 17:02:14 -343.973178 6.7449 BFGS: 62 17:02:14 -344.634455 6.6102 BFGS: 63 17:02:14 -345.275558 6.4727 BFGS: 64 17:02:14 -345.896532 6.3370 BFGS: 65 17:02:14 -346.496788 6.1883 BFGS: 66 17:02:14 -347.077116 6.0365 BFGS: 67 17:02:14 -347.637654 5.8828 BFGS: 68 17:02:15 -348.178474 5.7247 BFGS: 69 17:02:15 -348.699798 5.5656 BFGS: 70 17:02:15 -349.201774 5.4012 BFGS: 71 17:02:15 -349.684683 5.2383 BFGS: 72 17:02:15 -350.148587 5.0698 BFGS: 73 17:02:15 -350.593667 4.8990 BFGS: 74 17:02:15 -351.019963 4.7248 BFGS: 75 17:02:16 -351.428043 4.5490 BFGS: 76 17:02:16 -351.818039 4.3715 BFGS: 77 17:02:16 -352.190017 4.1881 BFGS: 78 17:02:16 -352.544381 4.0043 BFGS: 79 17:02:16 -352.881313 3.8159 BFGS: 80 17:02:16 -353.201043 3.6276 BFGS: 81 17:02:16 -353.503991 3.4366 BFGS: 82 17:02:16 -353.790355 3.2460 BFGS: 83 17:02:16 -354.060618 3.0565 BFGS: 84 17:02:17 -354.315085 2.8645 BFGS: 85 17:02:17 -354.554340 2.6631 BFGS: 86 17:02:17 -354.778509 2.4700 BFGS: 87 17:02:17 -354.988237 2.2640 BFGS: 88 17:02:17 -355.183788 2.0705 BFGS: 89 17:02:17 -355.365973 1.8636 BFGS: 90 17:02:17 -355.535248 1.6661 BFGS: 91 17:02:18 -355.692201 1.4601 BFGS: 92 17:02:18 -355.837577 1.2608 BFGS: 93 17:02:18 -355.972109 1.0904 BFGS: 94 17:02:18 -356.096769 1.2669 BFGS: 95 17:02:18 -356.212463 1.4363 BFGS: 96 17:02:18 -356.320255 1.5991 BFGS: 97 17:02:18 -356.421262 1.7548 BFGS: 98 17:02:18 -356.516713 1.9029 BFGS: 99 17:02:18 -356.607775 2.0412 BFGS: 100 17:02:19 -356.695918 2.1675 BFGS: 101 17:02:19 -356.782438 2.2834 BFGS: 102 17:02:19 -356.868872 2.3853 BFGS: 103 17:02:19 -356.956604 2.4751 BFGS: 104 17:02:19 -357.044278 2.5429 BFGS: 105 17:02:19 -357.127741 2.5932 BFGS: 106 17:02:19 -357.209113 2.6212 BFGS: 107 17:02:19 -357.289156 2.6364 BFGS: 108 17:02:20 -357.368813 2.6308 BFGS: 109 17:02:20 -357.448488 2.6179 BFGS: 110 17:02:20 -357.528418 2.5890 BFGS: 111 17:02:20 -357.608689 2.5554 BFGS: 112 17:02:20 -357.689410 2.5086 BFGS: 113 17:02:20 -357.770551 2.4593 BFGS: 114 17:02:20 -357.851923 2.3981 BFGS: 115 17:02:20 -357.933536 2.3349 BFGS: 116 17:02:21 -358.015040 2.2633 BFGS: 117 17:02:21 -358.096373 2.1886 BFGS: 118 17:02:21 -358.177432 2.1088 BFGS: 119 17:02:21 -358.257754 2.0271 BFGS: 120 17:02:21 -358.337414 1.9417 BFGS: 121 17:02:21 -358.416209 1.8550 BFGS: 122 17:02:21 -358.493881 1.8279 BFGS: 123 17:02:21 -358.570302 1.8000 BFGS: 124 17:02:22 -358.645396 1.7682 BFGS: 125 17:02:22 -358.718947 1.7329 BFGS: 126 17:02:22 -358.790895 1.6944 BFGS: 127 17:02:22 -358.861184 1.6513 BFGS: 128 17:02:22 -358.929593 1.6075 BFGS: 129 17:02:22 -358.996156 1.5582 BFGS: 130 17:02:22 -359.060624 1.5122 BFGS: 131 17:02:23 -359.123269 1.4626 BFGS: 132 17:02:23 -359.184086 1.4114 BFGS: 133 17:02:23 -359.243082 1.3598 BFGS: 134 17:02:23 -359.300335 1.3090 BFGS: 135 17:02:23 -359.355798 1.2559 BFGS: 136 17:02:23 -359.409741 1.2018 BFGS: 137 17:02:23 -359.461948 1.1480 BFGS: 138 17:02:23 -359.512679 1.0937 BFGS: 139 17:02:24 -359.562084 1.0363 BFGS: 140 17:02:24 -359.610142 0.9819 BFGS: 141 17:02:24 -359.657080 0.9269 BFGS: 142 17:02:24 -359.703099 0.8717 BFGS: 143 17:02:24 -359.748300 0.8953 BFGS: 144 17:02:24 -359.792863 0.9572 BFGS: 145 17:02:24 -359.836944 1.0182 BFGS: 146 17:02:25 -359.880784 1.0805 BFGS: 147 17:02:25 -359.924309 1.1391 BFGS: 148 17:02:25 -359.967814 1.1976 BFGS: 149 17:02:25 -360.011354 1.2538 BFGS: 150 17:02:25 -360.055179 1.3094 BFGS: 151 17:02:25 -360.099419 1.3643 BFGS: 152 17:02:25 -360.143301 1.4152 BFGS: 153 17:02:25 -360.186996 1.4664 BFGS: 154 17:02:26 -360.230436 1.5128 BFGS: 155 17:02:26 -360.273979 1.5590 BFGS: 156 17:02:26 -360.317562 1.6049 BFGS: 157 17:02:26 -360.361495 1.6457 BFGS: 158 17:02:26 -360.405847 1.6861 BFGS: 159 17:02:26 -360.450538 1.7231 BFGS: 160 17:02:26 -360.495898 1.7609 BFGS: 161 17:02:26 -360.541704 1.7951 BFGS: 162 17:02:26 -360.588112 1.8286 BFGS: 163 17:02:27 -360.634927 1.8602 BFGS: 164 17:02:27 -360.682312 1.8908 BFGS: 165 17:02:27 -360.730218 1.9260 BFGS: 166 17:02:27 -360.778449 1.9534 BFGS: 167 17:02:27 -360.827119 1.9795 BFGS: 168 17:02:27 -360.876080 2.0061 BFGS: 169 17:02:27 -360.925294 2.0299 BFGS: 170 17:02:27 -360.975082 2.0521 BFGS: 171 17:02:27 -361.028131 2.0802 BFGS: 172 17:02:28 -361.080046 2.1085 BFGS: 173 17:02:28 -361.147955 2.1421 BFGS: 174 17:02:28 -361.215340 2.1733 BFGS: 175 17:02:28 -361.282454 2.2000 BFGS: 176 17:02:28 -361.348013 2.2219 BFGS: 177 17:02:28 -361.410810 2.2408 BFGS: 178 17:02:28 -361.469115 2.2491 BFGS: 179 17:02:28 -361.523138 2.2494 BFGS: 180 17:02:28 -361.574195 2.2424 BFGS: 181 17:02:29 -361.624999 2.2294 BFGS: 182 17:02:29 -361.678194 2.2095 BFGS: 183 17:02:29 -361.735327 2.1874 BFGS: 184 17:02:29 -361.796566 2.1594 BFGS: 185 17:02:29 -361.862167 2.1294 BFGS: 186 17:02:29 -361.931607 2.0901 BFGS: 187 17:02:29 -362.005360 2.0511 BFGS: 188 17:02:29 -362.082174 2.0017 BFGS: 189 17:02:29 -362.162752 1.9534 BFGS: 190 17:02:30 -362.245613 1.8947 BFGS: 191 17:02:30 -362.331288 1.8353 BFGS: 192 17:02:30 -362.418835 1.8264 BFGS: 193 17:02:30 -362.508789 1.8286 BFGS: 194 17:02:30 -362.600331 1.8211 BFGS: 195 17:02:30 -362.693448 1.8066 BFGS: 196 17:02:30 -362.786976 1.7800 BFGS: 197 17:02:30 -362.880955 1.7410 BFGS: 198 17:02:30 -362.975611 1.6898 BFGS: 199 17:02:31 -363.071118 1.6234 BFGS: 200 17:02:31 -363.164376 1.5387 BFGS: 201 17:02:31 -363.257124 1.4318 BFGS: 202 17:02:31 -363.347176 1.2969 BFGS: 203 17:02:31 -363.434848 1.1277 BFGS: 204 17:02:31 -363.519403 0.9019 BFGS: 205 17:02:31 -363.600904 0.6030 BFGS: 206 17:02:31 -363.667864 0.4614 BFGS: 207 17:02:31 -363.722039 0.4546 BFGS: 208 17:02:32 -363.778412 0.5726 BFGS: 209 17:02:32 -363.841199 0.7112 BFGS: 210 17:02:32 -363.913119 0.8359 BFGS: 211 17:02:32 -363.993637 1.0449 BFGS: 212 17:02:32 -364.083250 1.2516 BFGS: 213 17:02:32 -364.182290 1.4246 BFGS: 214 17:02:32 -364.298455 1.5945 BFGS: 215 17:02:32 -364.433743 1.6721 BFGS: 216 17:02:32 -364.546638 1.6698 BFGS: 217 17:02:33 -364.652264 1.6577 BFGS: 218 17:02:33 -364.752129 1.6455 BFGS: 219 17:02:33 -364.849335 1.6307 BFGS: 220 17:02:33 -364.942390 1.6214 BFGS: 221 17:02:33 -365.034651 1.6055 BFGS: 222 17:02:33 -365.124006 1.5914 BFGS: 223 17:02:33 -365.212958 1.5741 BFGS: 224 17:02:33 -365.299369 1.5793 BFGS: 225 17:02:33 -365.384936 1.5744 BFGS: 226 17:02:34 -365.468538 1.5702 BFGS: 227 17:02:34 -365.551021 1.5590 BFGS: 228 17:02:34 -365.632343 1.5438 BFGS: 229 17:02:34 -365.712749 1.5145 BFGS: 230 17:02:34 -365.791312 1.4813 BFGS: 231 17:02:34 -365.868169 1.4385 BFGS: 232 17:02:34 -365.941635 1.3882 BFGS: 233 17:02:34 -366.012428 1.3283 BFGS: 234 17:02:34 -366.078381 1.2888 BFGS: 235 17:02:35 -366.141584 1.2383 BFGS: 236 17:02:35 -366.199207 1.1947 BFGS: 237 17:02:35 -366.253467 1.1329 BFGS: 238 17:02:35 -366.300821 1.0829 BFGS: 239 17:02:35 -366.344145 1.0115 BFGS: 240 17:02:35 -366.380957 0.9483 BFGS: 241 17:02:35 -366.412226 0.8656 BFGS: 242 17:02:35 -366.437479 0.7923 BFGS: 243 17:02:36 -366.456318 0.7748 BFGS: 244 17:02:36 -366.470678 0.7119 BFGS: 245 17:02:36 -366.478918 0.7009 BFGS: 246 17:02:36 -366.485277 0.6025 BFGS: 247 17:02:36 -366.492584 0.6030 BFGS: 248 17:02:36 -366.499797 0.6479 BFGS: 249 17:02:36 -366.503695 0.6323 BFGS: 250 17:02:36 -366.508969 0.6745 BFGS: 251 17:02:37 -366.512471 0.6020 BFGS: 252 17:02:37 -366.516683 0.6952 BFGS: 253 17:02:37 -366.519086 0.7612 BFGS: 254 17:02:37 -366.521768 0.8524 BFGS: 255 17:02:37 -366.523930 0.9381 BFGS: 256 17:02:37 -366.525485 0.9818 BFGS: 257 17:02:37 -366.526434 1.0063 BFGS: 258 17:02:37 -366.527059 0.9918 BFGS: 259 17:02:37 -366.527431 0.9824 BFGS: 260 17:02:38 -366.527651 0.9553 BFGS: 261 17:02:38 -366.527785 0.9389 BFGS: 262 17:02:38 -366.527858 0.9222 BFGS: 263 17:02:38 -366.527901 0.9138 BFGS: 264 17:02:38 -366.527925 0.9086 BFGS: 265 17:02:38 -366.527940 0.9072 BFGS: 266 17:02:38 -366.527948 0.9075 BFGS: 267 17:02:38 -366.527955 0.9089 BFGS: 268 17:02:38 -366.527958 0.9101 BFGS: 269 17:02:38 -366.527961 0.9109 BFGS: 270 17:02:39 -366.527962 0.9110 BFGS: 271 17:02:39 -366.527962 0.9107 BFGS: 272 17:02:39 -366.527963 0.9104 BFGS: 273 17:02:39 -366.527963 0.9098 BFGS: 274 17:02:39 -366.527963 0.9097 BFGS: 275 17:02:39 -366.527963 0.9095 BFGS: 276 17:02:39 -366.527963 0.9095 BFGS: 277 17:02:39 -366.527963 0.9096 BFGS: 278 17:02:39 -366.527963 0.9096 BFGS: 279 17:02:39 -366.527963 0.9097 BFGS: 280 17:02:39 -366.527963 0.9098 BFGS: 281 17:02:40 -366.527963 0.9100 BFGS: 282 17:02:40 -366.527965 0.9103 BFGS: 283 17:02:40 -366.527968 0.9107 BFGS: 284 17:02:40 -366.527976 0.9115 BFGS: 285 17:02:40 -366.527997 0.9127 BFGS: 286 17:02:40 -366.528051 0.9145 BFGS: 287 17:02:40 -366.528195 0.9172 BFGS: 288 17:02:40 -366.528570 0.9209 BFGS: 289 17:02:40 -366.529547 0.9250 BFGS: 290 17:02:41 -366.532092 0.9267 BFGS: 291 17:02:41 -366.538569 0.9189 BFGS: 292 17:02:41 -366.553481 0.8775 BFGS: 293 17:02:41 -366.587886 0.8993 BFGS: 294 17:02:41 -366.638000 0.7960 BFGS: 295 17:02:41 -366.676504 0.6354 BFGS: 296 17:02:41 -366.706045 0.4080 BFGS: 297 17:02:42 -366.722665 0.1064 BFGS: 298 17:02:42 -366.723903 0.0174 BFGS: 299 17:02:42 -366.723996 0.0038 BFGS: 300 17:02:42 -366.724004 0.0011 BFGS: 301 17:02:42 -366.724004 0.0002 BFGS: 302 17:02:42 -366.724004 0.0000 BFGS: 303 17:02:42 -366.724004 0.0000 BFGS: 304 17:02:42 -366.724004 0.0000 BFGS: 305 17:02:42 -366.724004 0.0000 BFGS: 306 17:02:43 -366.724004 0.0000 BFGS: 307 17:02:43 -366.724004 0.0000 BFGS: 308 17:02:43 -366.724004 0.0000 Minimization converged after 308 steps. Maximum force component: 8.332937731126584e-09 eV/Angstrom Maximum stress component: 1.2778917430020564e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [7.52871715e-53 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [7.18596366e-01 1.50540105e-03 3.09251789e-32] [2.81403634e-01 9.98494599e-01 0.00000000e+00] [7.81403634e-01 5.01505401e-01 1.75817193e-32] [2.18596366e-01 4.98494599e-01 0.00000000e+00] [8.88302178e-01 7.98239197e-01 4.56423500e-35] [1.11697822e-01 2.01760803e-01 0.00000000e+00] [6.11697822e-01 2.98239197e-01 2.54769517e-33] [3.88302178e-01 7.01760803e-01 0.00000000e+00] [6.54707810e-01 6.90744562e-01 0.00000000e+00] [3.45292190e-01 3.09255438e-01 2.10291348e-35] [8.45292190e-01 1.90744562e-01 0.00000000e+00] [1.54707810e-01 8.09255438e-01 9.95499469e-37] [8.14274398e-01 6.59785857e-01 5.00000000e-01] [1.85725602e-01 3.40214143e-01 5.00000000e-01] [6.85725602e-01 1.59785857e-01 5.00000000e-01] [3.14274398e-01 8.40214143e-01 5.00000000e-01] [8.07512386e-01 9.02069036e-01 5.00000000e-01] [1.92487614e-01 9.79309640e-02 5.00000000e-01] [6.92487614e-01 4.02069036e-01 5.00000000e-01] [3.07512386e-01 5.97930964e-01 5.00000000e-01] [5.75004026e-01 7.92211199e-01 5.00000000e-01] [4.24995974e-01 2.07788801e-01 5.00000000e-01] [9.24995974e-01 2.92211199e-01 5.00000000e-01] [7.50040259e-02 7.07788801e-01 5.00000000e-01] [5.00295099e-01 8.88475811e-01 2.80894981e-35] [4.99704901e-01 1.11524189e-01 0.00000000e+00] [9.99704901e-01 3.88475811e-01 3.78531336e-35] [2.95099377e-04 6.11524189e-01 0.00000000e+00] [5.69582495e-01 5.86430905e-01 5.00000000e-01] [4.30417505e-01 4.13569095e-01 5.00000000e-01] [9.30417505e-01 8.64309046e-02 5.00000000e-01] [6.95824951e-02 9.13569095e-01 5.00000000e-01]] cellpar = Cell([[8.875232850352178, -1.0316902623622842e-35, 0.0], [-7.816182209592193e-36, 11.079329122427536, 0.0], [0.0, 0.0, 3.930057054480626]]) 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] [ 1.26056782e-09 1.07575934e-09 0.00000000e+00] [-1.26056782e-09 -1.07575934e-09 0.00000000e+00] [-1.26056782e-09 1.07575934e-09 0.00000000e+00] [ 1.26056782e-09 -1.07575934e-09 0.00000000e+00] [-1.65365082e-09 1.99293377e-09 0.00000000e+00] [ 1.65365082e-09 -1.99293377e-09 0.00000000e+00] [ 1.65365082e-09 1.99293377e-09 0.00000000e+00] [-1.65365082e-09 -1.99293377e-09 0.00000000e+00] [ 1.12111740e-09 -6.34127288e-09 0.00000000e+00] [-1.12111740e-09 6.34127288e-09 0.00000000e+00] [-1.12111740e-09 -6.34127288e-09 0.00000000e+00] [ 1.12111740e-09 6.34127288e-09 0.00000000e+00] [ 8.33293773e-09 2.29443116e-09 0.00000000e+00] [-8.33293773e-09 -2.29443116e-09 0.00000000e+00] [-8.33293773e-09 2.29443116e-09 0.00000000e+00] [ 8.33293773e-09 -2.29443116e-09 0.00000000e+00] [-2.71712571e-09 4.11883276e-10 0.00000000e+00] [ 2.71712571e-09 -4.11883276e-10 0.00000000e+00] [ 2.71712571e-09 4.11883276e-10 0.00000000e+00] [-2.71712571e-09 -4.11883276e-10 0.00000000e+00] [-5.53903910e-09 4.98424760e-09 0.00000000e+00] [ 5.53903910e-09 -4.98424760e-09 0.00000000e+00] [ 5.53903910e-09 4.98424760e-09 0.00000000e+00] [-5.53903910e-09 -4.98424760e-09 0.00000000e+00] [-2.08978857e-09 5.22507034e-09 0.00000000e+00] [ 2.08978857e-09 -5.22507034e-09 0.00000000e+00] [ 2.08978857e-09 5.22507034e-09 0.00000000e+00] [-2.08978857e-09 -5.22507034e-09 0.00000000e+00] [ 6.96999426e-10 5.25600921e-09 0.00000000e+00] [-6.96999426e-10 -5.25600921e-09 0.00000000e+00] [-6.96999426e-10 5.25600921e-09 0.00000000e+00] [ 6.96999426e-10 -5.25600921e-09 0.00000000e+00]] stress = [ 1.27789174e-10 9.20637981e-11 -1.58571786e-11 0.00000000e+00 0.00000000e+00 -1.10613024e-47] energy per atom = -10.186777893515089 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0