element(s): ['Al', 'Li'] AFLOW prototype label: AB_oC48_64_fg_def Parameter names: ['a', 'b/a', 'c/a', 'x1', 'y2', 'y3', 'z3', 'y4', 'z4', 'x5', 'y5', 'z5'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['12.9099', '0.99870642', '0.43466642', '0.8076059', '0.24955', '0.50074752', '0.27177758', '0.19240357', '0.99338159', '0.11659199', '0.38316363', '0.0011152447'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'Al', 'Li', 'Li', 'Li'] representative atom coordinates = [[0. 0.50074752 0.27177758] [0.61659199 0.88316363 0.00111524] [0.8076059 0. 0. ] [0.25 0.24955 0.25 ] [0. 0.19240357 0.99338159]] spacegroup = 64 cell = [[12.9099, 0, 0], [0, 12.8932, 0], [0, 0, 5.6115]] ========================================= Step Time Energy fmax BFGS: 0 14:18:21 -342.003319 10.945285 BFGS: 1 14:18:22 -345.110085 10.934458 BFGS: 2 14:18:22 -348.124028 10.905389 BFGS: 3 14:18:23 -351.012051 10.857927 BFGS: 4 14:18:23 -353.752053 10.799825 BFGS: 5 14:18:23 -356.343602 10.733088 BFGS: 6 14:18:23 -358.803931 10.665357 BFGS: 7 14:18:23 -361.155305 10.598123 BFGS: 8 14:18:24 -363.418955 10.530837 BFGS: 9 14:18:24 -365.612082 10.465672 BFGS: 10 14:18:25 -367.745703 10.402659 BFGS: 11 14:18:26 -369.825586 10.341675 BFGS: 12 14:18:27 -371.853225 10.282616 BFGS: 13 14:18:27 -373.827075 10.225879 BFGS: 14 14:18:28 -375.743750 10.175526 BFGS: 15 14:18:29 -377.599063 10.124274 BFGS: 16 14:18:29 -379.392726 10.075552 BFGS: 17 14:18:30 -381.124611 10.029604 BFGS: 18 14:18:30 -382.797804 9.986645 BFGS: 19 14:18:31 -384.417408 9.946875 BFGS: 20 14:18:32 -385.989721 9.910462 BFGS: 21 14:18:32 -387.521434 9.877523 BFGS: 22 14:18:33 -389.019051 9.848109 BFGS: 23 14:18:33 -390.488545 9.822192 BFGS: 24 14:18:34 -391.935208 9.799665 BFGS: 25 14:18:34 -393.363614 9.780338 BFGS: 26 14:18:35 -394.777646 9.763949 BFGS: 27 14:18:35 -396.180554 9.750178 BFGS: 28 14:18:36 -397.575017 9.738659 BFGS: 29 14:18:36 -398.963206 9.729000 BFGS: 30 14:18:36 -400.346845 9.720794 BFGS: 31 14:18:37 -401.727269 9.713642 BFGS: 32 14:18:37 -403.105477 9.707164 BFGS: 33 14:18:37 -404.482181 9.701018 BFGS: 34 14:18:38 -405.857861 9.694912 BFGS: 35 14:18:38 -407.232816 9.688613 BFGS: 36 14:18:39 -408.607215 9.681949 BFGS: 37 14:18:39 -409.981145 9.674793 BFGS: 38 14:18:39 -411.354646 9.667791 BFGS: 39 14:18:40 -412.727818 9.659328 BFGS: 40 14:18:40 -414.100535 9.650163 BFGS: 41 14:18:41 -415.472824 9.642218 BFGS: 42 14:18:42 -416.844574 9.631437 BFGS: 43 14:18:42 -418.215884 9.625427 BFGS: 44 14:18:43 -419.586692 9.614504 BFGS: 45 14:18:43 -420.957208 9.602949 BFGS: 46 14:18:44 -422.327252 9.588750 BFGS: 47 14:18:44 -423.697591 9.573340 BFGS: 48 14:18:45 -425.066952 9.556968 BFGS: 49 14:18:45 -426.435306 9.540711 BFGS: 50 14:18:46 -427.802793 9.522412 BFGS: 51 14:18:46 -429.169274 9.502851 BFGS: 52 14:18:47 -430.534641 9.482420 BFGS: 53 14:18:47 -431.899990 9.469642 BFGS: 54 14:18:48 -433.263792 9.451126 BFGS: 55 14:18:48 -434.625612 9.431009 BFGS: 56 14:18:49 -435.985197 9.406693 BFGS: 57 14:18:49 -437.344058 9.380354 BFGS: 58 14:18:50 -438.701607 9.353187 BFGS: 59 14:18:50 -440.057651 9.327748 BFGS: 60 14:18:51 -441.411078 9.300010 BFGS: 61 14:18:51 -442.763044 9.273600 BFGS: 62 14:18:51 -444.113172 9.241497 BFGS: 63 14:18:52 -445.460847 9.207681 BFGS: 64 14:18:52 -446.806321 9.176183 BFGS: 65 14:18:52 -448.150626 9.139776 BFGS: 66 14:18:53 -449.492588 9.102567 BFGS: 67 14:18:53 -450.832225 9.064996 BFGS: 68 14:18:54 -452.169875 9.028920 BFGS: 69 14:18:54 -453.505395 8.987236 BFGS: 70 14:18:54 -454.838784 8.944148 BFGS: 71 14:18:55 -456.170580 8.904728 BFGS: 72 14:18:55 -457.501016 8.862387 BFGS: 73 14:18:56 -458.829904 8.820795 BFGS: 74 14:18:56 -460.158811 8.774487 BFGS: 75 14:18:57 -461.486348 8.724960 BFGS: 76 14:18:57 -462.813168 8.674102 BFGS: 77 14:18:57 -464.139747 8.625394 BFGS: 78 14:18:58 -465.466819 8.572664 BFGS: 79 14:18:58 -466.793721 8.518639 BFGS: 80 14:18:59 -468.121746 8.471528 BFGS: 81 14:18:59 -469.450945 8.418985 BFGS: 82 14:19:00 -470.781039 8.362577 BFGS: 83 14:19:00 -472.111927 8.305665 BFGS: 84 14:19:01 -473.443454 8.247649 BFGS: 85 14:19:01 -474.775525 8.190306 BFGS: 86 14:19:01 -476.107418 8.132402 BFGS: 87 14:19:02 -477.439006 8.073526 BFGS: 88 14:19:02 -478.769635 8.015371 BFGS: 89 14:19:03 -480.098838 7.956083 BFGS: 90 14:19:03 -481.426206 7.896794 BFGS: 91 14:19:04 -482.751313 7.837471 BFGS: 92 14:19:04 -484.073312 7.777961 BFGS: 93 14:19:05 -485.391956 7.721355 BFGS: 94 14:19:06 -486.705487 7.704616 BFGS: 95 14:19:06 -488.013642 7.828671 BFGS: 96 14:19:07 -489.315601 7.949959 BFGS: 97 14:19:07 -490.610674 8.071213 BFGS: 98 14:19:07 -491.898393 8.188612 BFGS: 99 14:19:08 -493.178637 8.306391 BFGS: 100 14:19:09 -494.449947 8.422854 BFGS: 101 14:19:09 -495.711953 8.539782 BFGS: 102 14:19:10 -496.964412 8.652356 BFGS: 103 14:19:10 -498.206781 8.766765 BFGS: 104 14:19:11 -499.438619 8.875550 BFGS: 105 14:19:11 -500.658869 8.989229 BFGS: 106 14:19:12 -501.868404 9.098400 BFGS: 107 14:19:12 -503.068020 9.210298 BFGS: 108 14:19:12 -504.257070 9.317453 BFGS: 109 14:19:13 -505.435465 9.427596 BFGS: 110 14:19:13 -506.603399 9.533306 BFGS: 111 14:19:14 -507.762061 9.641016 BFGS: 112 14:19:14 -508.911095 9.745367 BFGS: 113 14:19:15 -510.050755 9.850555 BFGS: 114 14:19:15 -511.181247 9.953712 BFGS: 115 14:19:16 -512.303787 10.058593 BFGS: 116 14:19:16 -513.419273 10.159669 BFGS: 117 14:19:17 -514.528766 10.261422 BFGS: 118 14:19:17 -515.632631 10.360808 BFGS: 119 14:19:18 -516.731936 10.459564 BFGS: 120 14:19:18 -517.827480 10.556242 BFGS: 121 14:19:19 -518.920422 10.651892 BFGS: 122 14:19:19 -520.012204 10.745197 BFGS: 123 14:19:20 -521.103812 10.838733 BFGS: 124 14:19:20 -522.196586 10.929574 BFGS: 125 14:19:20 -523.292708 11.019931 BFGS: 126 14:19:21 -524.393116 11.107055 BFGS: 127 14:19:21 -525.498282 11.192600 BFGS: 128 14:19:22 -526.608881 11.275617 BFGS: 129 14:19:22 -527.724134 11.356775 BFGS: 130 14:19:23 -528.848314 11.435975 BFGS: 131 14:19:23 -529.986555 11.511735 BFGS: 132 14:19:23 -531.145111 11.585191 BFGS: 133 14:19:24 -532.331104 11.656725 BFGS: 134 14:19:24 -533.554400 11.720185 BFGS: 135 14:19:25 -534.825788 11.785713 BFGS: 136 14:19:25 -536.133169 11.843762 BFGS: 137 14:19:26 -537.460876 11.894384 BFGS: 138 14:19:26 -538.811454 11.932396 BFGS: 139 14:19:27 -540.191481 11.965068 BFGS: 140 14:19:27 -541.604589 11.977029 BFGS: 141 14:19:28 -543.062670 11.989050 BFGS: 142 14:19:28 -544.474056 12.033960 BFGS: 143 14:19:29 -546.048837 11.979483 BFGS: 144 14:19:29 -547.571268 12.048133 BFGS: 145 14:19:29 -549.122286 12.084461 BFGS: 146 14:19:30 -550.623924 12.144836 BFGS: 147 14:19:30 -551.816976 12.348423 BFGS: 148 14:19:31 -553.673708 12.049561 BFGS: 149 14:19:31 -555.075852 12.043867 BFGS: 150 14:19:32 -556.491857 12.047360 BFGS: 151 14:19:32 -557.967583 12.043740 BFGS: 152 14:19:33 -559.516425 12.030826 BFGS: 153 14:19:33 -561.072361 12.009390 BFGS: 154 14:19:34 -562.608810 11.981425 BFGS: 155 14:19:34 -564.118908 11.946900 BFGS: 156 14:19:35 -565.593263 11.906022 BFGS: 157 14:19:35 -567.022509 11.859515 BFGS: 158 14:19:36 -568.396807 11.806507 BFGS: 159 14:19:36 -569.708018 11.749609 BFGS: 160 14:19:36 -570.949533 11.685871 BFGS: 161 14:19:37 -572.115082 11.617124 BFGS: 162 14:19:37 -573.202568 11.541177 BFGS: 163 14:19:38 -574.209762 11.459206 BFGS: 164 14:19:38 -575.137100 11.369943 BFGS: 165 14:19:39 -575.988676 11.277140 BFGS: 166 14:19:40 -576.767340 11.173543 BFGS: 167 14:19:40 -577.480306 11.068867 BFGS: 168 14:19:41 -578.132235 10.948013 BFGS: 169 14:19:41 -578.731500 10.833136 BFGS: 170 14:19:42 -579.281377 10.692382 BFGS: 171 14:19:42 -579.791831 10.574431 BFGS: 172 14:19:43 -580.262365 10.408967 BFGS: 173 14:19:43 -580.704948 10.283706 BFGS: 174 14:19:43 -581.116747 10.110145 BFGS: 175 14:19:44 -581.507831 9.956443 BFGS: 176 14:19:44 -581.878652 9.780494 BFGS: 177 14:19:45 -582.234419 9.604933 BFGS: 178 14:19:45 -582.577385 9.418004 BFGS: 179 14:19:46 -582.910592 9.225416 BFGS: 180 14:19:46 -583.236246 9.024377 BFGS: 181 14:19:46 -583.556211 8.815896 BFGS: 182 14:19:47 -583.871884 8.599751 BFGS: 183 14:19:47 -584.184862 8.375461 BFGS: 184 14:19:48 -584.496366 8.142999 BFGS: 185 14:19:48 -584.807009 7.901863 BFGS: 186 14:19:49 -585.117686 7.650554 BFGS: 187 14:19:49 -585.428907 7.389947 BFGS: 188 14:19:49 -585.736202 7.121854 BFGS: 189 14:19:50 -586.023372 6.862477 BFGS: 190 14:19:50 -586.292754 6.610812 BFGS: 191 14:19:51 -586.546539 6.366702 BFGS: 192 14:19:51 -586.785812 6.129706 BFGS: 193 14:19:51 -587.011941 5.899115 BFGS: 194 14:19:52 -587.225594 5.675171 BFGS: 195 14:19:52 -587.427611 5.457117 BFGS: 196 14:19:53 -587.618454 5.244822 BFGS: 197 14:19:54 -587.798561 5.038115 BFGS: 198 14:19:54 -587.968461 4.837747 BFGS: 199 14:19:55 -588.127938 4.641495 BFGS: 200 14:19:56 -588.277808 4.450243 BFGS: 201 14:19:57 -588.418550 4.263838 BFGS: 202 14:19:57 -588.550756 4.081582 BFGS: 203 14:19:57 -588.675150 3.903404 BFGS: 204 14:19:57 -588.792763 3.772973 BFGS: 205 14:19:57 -588.904964 3.739721 BFGS: 206 14:19:57 -589.013854 3.693818 BFGS: 207 14:19:57 -589.121921 3.629664 BFGS: 208 14:19:58 -589.234512 3.541173 BFGS: 209 14:19:58 -589.360157 3.414842 BFGS: 210 14:19:59 -589.515145 3.221555 BFGS: 211 14:19:59 -589.659440 3.025935 BFGS: 212 14:20:00 -589.814236 2.826673 BFGS: 213 14:20:00 -589.987914 2.623681 BFGS: 214 14:20:01 -590.183564 2.500003 BFGS: 215 14:20:01 -590.402212 2.398447 BFGS: 216 14:20:01 -590.606099 2.295054 BFGS: 217 14:20:01 -590.789026 2.195781 BFGS: 218 14:20:01 -590.958940 2.098893 BFGS: 219 14:20:02 -591.120255 2.002827 BFGS: 220 14:20:02 -591.275407 1.906921 BFGS: 221 14:20:03 -591.425807 1.812071 BFGS: 222 14:20:03 -591.572302 1.768207 BFGS: 223 14:20:03 -591.715608 1.731006 BFGS: 224 14:20:04 -591.856195 1.692613 BFGS: 225 14:20:04 -591.993928 1.653365 BFGS: 226 14:20:05 -592.129321 1.612754 BFGS: 227 14:20:05 -592.262565 1.569542 BFGS: 228 14:20:06 -592.393178 1.527198 BFGS: 229 14:20:06 -592.521409 1.520055 BFGS: 230 14:20:06 -592.647439 1.518536 BFGS: 231 14:20:07 -592.771170 1.512500 BFGS: 232 14:20:07 -592.892517 1.502076 BFGS: 233 14:20:08 -593.011442 1.487022 BFGS: 234 14:20:08 -593.127683 1.467142 BFGS: 235 14:20:09 -593.241167 1.444421 BFGS: 236 14:20:09 -593.351782 1.418684 BFGS: 237 14:20:10 -593.459299 1.388432 BFGS: 238 14:20:10 -593.563734 1.354396 BFGS: 239 14:20:11 -593.664996 1.316772 BFGS: 240 14:20:11 -593.762903 1.275675 BFGS: 241 14:20:12 -593.857114 1.231971 BFGS: 242 14:20:12 -593.947536 1.184684 BFGS: 243 14:20:13 -594.034115 1.134294 BFGS: 244 14:20:13 -594.116805 1.080138 BFGS: 245 14:20:13 -594.195309 1.021904 BFGS: 246 14:20:14 -594.269301 0.963944 BFGS: 247 14:20:14 -594.338951 0.903426 BFGS: 248 14:20:15 -594.404112 0.840507 BFGS: 249 14:20:15 -594.464662 0.775283 BFGS: 250 14:20:16 -594.520653 0.708072 BFGS: 251 14:20:16 -594.571710 0.638386 BFGS: 252 14:20:17 -594.617936 0.568329 BFGS: 253 14:20:17 -594.659300 0.496597 BFGS: 254 14:20:18 -594.695764 0.424542 BFGS: 255 14:20:18 -594.727296 0.379743 BFGS: 256 14:20:18 -594.753894 0.333165 BFGS: 257 14:20:19 -594.775575 0.284805 BFGS: 258 14:20:19 -594.792547 0.232963 BFGS: 259 14:20:20 -594.805012 0.184516 BFGS: 260 14:20:20 -594.812909 0.135715 BFGS: 261 14:20:21 -594.816689 0.140217 BFGS: 262 14:20:21 -594.817646 0.140156 BFGS: 263 14:20:22 -594.819258 0.136968 BFGS: 264 14:20:22 -594.822027 0.128006 BFGS: 265 14:20:23 -594.825001 0.112293 BFGS: 266 14:20:23 -594.827169 0.137476 BFGS: 267 14:20:24 -594.828432 0.117007 BFGS: 268 14:20:24 -594.829664 0.075686 BFGS: 269 14:20:25 -594.830734 0.054074 BFGS: 270 14:20:25 -594.831660 0.040948 BFGS: 271 14:20:25 -594.832144 0.028786 BFGS: 272 14:20:26 -594.832305 0.019989 BFGS: 273 14:20:26 -594.832373 0.016687 BFGS: 274 14:20:27 -594.832390 0.012964 BFGS: 275 14:20:28 -594.832396 0.007073 BFGS: 276 14:20:28 -594.832398 0.003426 BFGS: 277 14:20:28 -594.832399 0.001640 BFGS: 278 14:20:29 -594.832400 0.001800 BFGS: 279 14:20:29 -594.832400 0.001834 BFGS: 280 14:20:30 -594.832401 0.001349 BFGS: 281 14:20:30 -594.832401 0.000646 BFGS: 282 14:20:31 -594.832401 0.000203 BFGS: 283 14:20:31 -594.832401 0.000056 BFGS: 284 14:20:32 -594.832401 0.000035 BFGS: 285 14:20:33 -594.832401 0.000025 BFGS: 286 14:20:33 -594.832401 0.000017 BFGS: 287 14:20:34 -594.832401 0.000007 BFGS: 288 14:20:35 -594.832401 0.000001 BFGS: 289 14:20:35 -594.832401 0.000000 BFGS: 290 14:20:36 -594.832401 0.000000 BFGS: 291 14:20:37 -594.832401 0.000000 BFGS: 292 14:20:37 -594.832401 0.000000 BFGS: 293 14:20:37 -594.832401 0.000000 Minimization converged after 293 steps. Maximum force component: 4.861776338334594e-09 eV/Angstrom Maximum stress component: 7.864461305531187e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li'] basis = [[0.00000000e+00 5.59577776e-01 2.91095596e-01] [2.69103061e-33 9.40422224e-01 7.91095596e-01] [3.28474560e-33 5.95777755e-02 2.08904404e-01] [6.12100883e-33 4.40422224e-01 7.08904404e-01] [5.00000000e-01 5.95777755e-02 2.91095596e-01] [5.00000000e-01 4.40422224e-01 7.91095596e-01] [5.00000000e-01 5.59577776e-01 2.08904404e-01] [5.00000000e-01 9.40422224e-01 7.08904404e-01] [6.20622661e-01 8.93848848e-01 1.00200820e-01] [3.79377339e-01 6.06151152e-01 6.00200820e-01] [3.79377339e-01 3.93848848e-01 3.99799180e-01] [6.20622661e-01 1.06151152e-01 8.99799180e-01] [1.20622661e-01 3.93848848e-01 1.00200820e-01] [8.79377339e-01 1.06151152e-01 6.00200820e-01] [8.79377339e-01 8.93848848e-01 3.99799180e-01] [1.20622661e-01 6.06151152e-01 8.99799180e-01] [3.79377339e-01 1.06151152e-01 8.99799180e-01] [6.20622661e-01 3.93848848e-01 3.99799180e-01] [6.20622661e-01 6.06151152e-01 6.00200820e-01] [3.79377339e-01 8.93848848e-01 1.00200820e-01] [8.79377339e-01 6.06151152e-01 8.99799180e-01] [1.20622661e-01 8.93848848e-01 3.99799180e-01] [1.20622661e-01 1.06151152e-01 6.00200820e-01] [8.79377339e-01 3.93848848e-01 1.00200820e-01] [8.08216211e-01 1.37774706e-16 7.91391268e-17] [1.91783789e-01 5.00000000e-01 5.00000000e-01] [3.08216211e-01 5.00000000e-01 7.91391268e-17] [6.91783789e-01 1.37774706e-16 5.00000000e-01] [1.91783789e-01 1.37774706e-16 7.91391268e-17] [8.08216211e-01 5.00000000e-01 5.00000000e-01] [6.91783789e-01 5.00000000e-01 7.91391268e-17] [3.08216211e-01 1.37774706e-16 5.00000000e-01] [2.50000000e-01 2.09310925e-01 2.50000000e-01] [7.50000000e-01 2.90689075e-01 7.50000000e-01] [7.50000000e-01 7.09310925e-01 2.50000000e-01] [2.50000000e-01 7.90689075e-01 7.50000000e-01] [7.50000000e-01 7.90689075e-01 7.50000000e-01] [2.50000000e-01 7.09310925e-01 2.50000000e-01] [2.50000000e-01 2.90689075e-01 7.50000000e-01] [7.50000000e-01 2.09310925e-01 2.50000000e-01] [1.73880055e-33 2.29391910e-01 9.03353136e-01] [0.00000000e+00 2.70608090e-01 4.03353136e-01] [7.45538467e-34 7.29391910e-01 5.96646864e-01] [0.00000000e+00 7.70608090e-01 9.66468645e-02] [5.00000000e-01 7.29391910e-01 9.03353136e-01] [5.00000000e-01 7.70608090e-01 4.03353136e-01] [5.00000000e-01 2.29391910e-01 5.96646864e-01] [5.00000000e-01 2.70608090e-01 9.66468645e-02]] cellpar = Cell([[10.537250375975923, 6.322837686022665e-36, 0.0], [-7.496024743931034e-36, 10.554135915149411, 0.0], [0.0, 0.0, 4.878477464246808]]) forces = [[-8.31242487e-30 3.40578379e-09 4.54161611e-09] [ 2.41894171e-45 -3.40578379e-09 4.54161611e-09] [-1.66248497e-29 3.40578379e-09 -4.54161611e-09] [-8.31242487e-30 -3.40578379e-09 -4.54161611e-09] [-8.31242487e-30 3.40578379e-09 4.54161611e-09] [ 4.15621244e-30 -3.40578379e-09 4.54161611e-09] [-8.31242487e-30 3.40578379e-09 -4.54161611e-09] [ 1.24686373e-29 -3.40578379e-09 -4.54161611e-09] [ 8.96594243e-10 -2.77749778e-09 -2.32181977e-10] [-8.96594243e-10 2.77749778e-09 -2.32181977e-10] [-8.96594243e-10 -2.77749778e-09 2.32181977e-10] [ 8.96594243e-10 2.77749778e-09 2.32181977e-10] [ 8.96594243e-10 -2.77749778e-09 -2.32181977e-10] [-8.96594243e-10 2.77749778e-09 -2.32181977e-10] [-8.96594243e-10 -2.77749778e-09 2.32181977e-10] [ 8.96594243e-10 2.77749778e-09 2.32181977e-10] [-8.96594243e-10 2.77749778e-09 2.32181977e-10] [ 8.96594243e-10 -2.77749778e-09 2.32181977e-10] [ 8.96594243e-10 2.77749778e-09 -2.32181977e-10] [-8.96594243e-10 -2.77749778e-09 -2.32181977e-10] [-8.96594243e-10 2.77749778e-09 2.32181977e-10] [ 8.96594243e-10 -2.77749778e-09 2.32181977e-10] [ 8.96594243e-10 2.77749778e-09 -2.32181977e-10] [-8.96594243e-10 -2.77749778e-09 -2.32181977e-10] [-4.86109495e-10 -2.91688185e-46 0.00000000e+00] [ 4.86109495e-10 2.91688185e-46 0.00000000e+00] [-4.86109495e-10 -2.91688185e-46 0.00000000e+00] [ 4.86109495e-10 2.91688185e-46 -9.62110037e-31] [ 4.86109495e-10 2.91688185e-46 0.00000000e+00] [-4.86109495e-10 -2.91688185e-46 0.00000000e+00] [ 4.86109495e-10 2.91688185e-46 0.00000000e+00] [-4.86109495e-10 -2.91688185e-46 0.00000000e+00] [ 1.03905311e-30 9.54810712e-10 -9.62110037e-31] [ 1.03905311e-30 -9.54810712e-10 -1.68369256e-30] [ 2.07810622e-30 9.54810712e-10 0.00000000e+00] [ 6.78149759e-46 -9.54810712e-10 -1.92422007e-30] [ 4.15621244e-30 -9.54810712e-10 0.00000000e+00] [-5.19526554e-31 9.54810712e-10 1.44316506e-30] [ 5.19526554e-31 -9.54810712e-10 0.00000000e+00] [-6.78149759e-46 9.54810712e-10 1.92422007e-30] [-2.07810622e-30 2.71148493e-10 4.86177634e-09] [ 5.19526554e-31 -2.71148493e-10 4.86177634e-09] [-5.19526554e-31 2.71148493e-10 -4.86177634e-09] [ 1.92581925e-46 -2.71148493e-10 -4.86177634e-09] [-1.92581925e-46 2.71148493e-10 4.86177634e-09] [ 1.92581925e-46 -2.71148493e-10 4.86177634e-09] [-1.92581925e-46 2.71148493e-10 -4.86177634e-09] [ 1.92581925e-46 -2.71148493e-10 -4.86177634e-09]] stress = [-6.83265008e-11 4.46054673e-11 -7.86446131e-11 0.00000000e+00 0.00000000e+00 -8.03110082e-47] energy per atom = -12.39234168945517 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0