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 10:53:12 -342.003319 10.945285 BFGS: 1 10:53:12 -345.110085 10.934458 BFGS: 2 10:53:12 -348.124028 10.905389 BFGS: 3 10:53:12 -351.012051 10.857927 BFGS: 4 10:53:12 -353.752053 10.799825 BFGS: 5 10:53:12 -356.343602 10.733088 BFGS: 6 10:53:12 -358.803931 10.665357 BFGS: 7 10:53:13 -361.155305 10.598123 BFGS: 8 10:53:13 -363.418955 10.530837 BFGS: 9 10:53:13 -365.612082 10.465672 BFGS: 10 10:53:13 -367.745703 10.402659 BFGS: 11 10:53:13 -369.825586 10.341675 BFGS: 12 10:53:13 -371.853225 10.282616 BFGS: 13 10:53:13 -373.827075 10.225879 BFGS: 14 10:53:13 -375.743750 10.175526 BFGS: 15 10:53:13 -377.599063 10.124274 BFGS: 16 10:53:13 -379.392726 10.075552 BFGS: 17 10:53:13 -381.124611 10.029604 BFGS: 18 10:53:13 -382.797804 9.986645 BFGS: 19 10:53:13 -384.417408 9.946875 BFGS: 20 10:53:13 -385.989721 9.910462 BFGS: 21 10:53:14 -387.521434 9.877523 BFGS: 22 10:53:14 -389.019051 9.848109 BFGS: 23 10:53:14 -390.488545 9.822192 BFGS: 24 10:53:14 -391.935208 9.799665 BFGS: 25 10:53:14 -393.363614 9.780338 BFGS: 26 10:53:14 -394.777646 9.763949 BFGS: 27 10:53:14 -396.180554 9.750178 BFGS: 28 10:53:14 -397.575017 9.738659 BFGS: 29 10:53:14 -398.963206 9.729000 BFGS: 30 10:53:14 -400.346845 9.720794 BFGS: 31 10:53:14 -401.727269 9.713642 BFGS: 32 10:53:14 -403.105477 9.707164 BFGS: 33 10:53:14 -404.482181 9.701018 BFGS: 34 10:53:14 -405.857861 9.694912 BFGS: 35 10:53:14 -407.232816 9.688613 BFGS: 36 10:53:14 -408.607215 9.681949 BFGS: 37 10:53:14 -409.981145 9.674793 BFGS: 38 10:53:14 -411.354646 9.667791 BFGS: 39 10:53:14 -412.727818 9.659328 BFGS: 40 10:53:14 -414.100535 9.650163 BFGS: 41 10:53:14 -415.472824 9.642218 BFGS: 42 10:53:14 -416.844574 9.631437 BFGS: 43 10:53:14 -418.215884 9.625427 BFGS: 44 10:53:14 -419.586692 9.614504 BFGS: 45 10:53:14 -420.957208 9.602949 BFGS: 46 10:53:14 -422.327252 9.588750 BFGS: 47 10:53:14 -423.697591 9.573340 BFGS: 48 10:53:14 -425.066952 9.556968 BFGS: 49 10:53:14 -426.435306 9.540711 BFGS: 50 10:53:15 -427.802793 9.522412 BFGS: 51 10:53:15 -429.169274 9.502851 BFGS: 52 10:53:15 -430.534641 9.482420 BFGS: 53 10:53:15 -431.899990 9.469642 BFGS: 54 10:53:15 -433.263792 9.451126 BFGS: 55 10:53:15 -434.625612 9.431009 BFGS: 56 10:53:15 -435.985197 9.406693 BFGS: 57 10:53:15 -437.344058 9.380354 BFGS: 58 10:53:15 -438.701607 9.353187 BFGS: 59 10:53:15 -440.057651 9.327748 BFGS: 60 10:53:15 -441.411078 9.300010 BFGS: 61 10:53:15 -442.763044 9.273600 BFGS: 62 10:53:15 -444.113172 9.241497 BFGS: 63 10:53:15 -445.460847 9.207681 BFGS: 64 10:53:15 -446.806321 9.176183 BFGS: 65 10:53:15 -448.150626 9.139776 BFGS: 66 10:53:15 -449.492588 9.102567 BFGS: 67 10:53:15 -450.832225 9.064996 BFGS: 68 10:53:15 -452.169875 9.028920 BFGS: 69 10:53:15 -453.505395 8.987236 BFGS: 70 10:53:16 -454.838784 8.944148 BFGS: 71 10:53:16 -456.170580 8.904728 BFGS: 72 10:53:16 -457.501016 8.862387 BFGS: 73 10:53:16 -458.829904 8.820795 BFGS: 74 10:53:16 -460.158811 8.774487 BFGS: 75 10:53:16 -461.486348 8.724960 BFGS: 76 10:53:16 -462.813168 8.674102 BFGS: 77 10:53:16 -464.139747 8.625394 BFGS: 78 10:53:16 -465.466819 8.572664 BFGS: 79 10:53:16 -466.793721 8.518639 BFGS: 80 10:53:16 -468.121746 8.471528 BFGS: 81 10:53:16 -469.450945 8.418985 BFGS: 82 10:53:16 -470.781039 8.362577 BFGS: 83 10:53:16 -472.111927 8.305665 BFGS: 84 10:53:17 -473.443454 8.247649 BFGS: 85 10:53:17 -474.775525 8.190306 BFGS: 86 10:53:17 -476.107418 8.132402 BFGS: 87 10:53:17 -477.439006 8.073526 BFGS: 88 10:53:17 -478.769635 8.015371 BFGS: 89 10:53:17 -480.098838 7.956083 BFGS: 90 10:53:17 -481.426206 7.896794 BFGS: 91 10:53:17 -482.751313 7.837471 BFGS: 92 10:53:17 -484.073312 7.777961 BFGS: 93 10:53:17 -485.391956 7.721355 BFGS: 94 10:53:17 -486.705487 7.704616 BFGS: 95 10:53:17 -488.013642 7.828671 BFGS: 96 10:53:17 -489.315601 7.949959 BFGS: 97 10:53:17 -490.610674 8.071213 BFGS: 98 10:53:17 -491.898393 8.188612 BFGS: 99 10:53:17 -493.178637 8.306391 BFGS: 100 10:53:17 -494.449947 8.422854 BFGS: 101 10:53:17 -495.711953 8.539782 BFGS: 102 10:53:17 -496.964412 8.652356 BFGS: 103 10:53:17 -498.206781 8.766765 BFGS: 104 10:53:17 -499.438619 8.875550 BFGS: 105 10:53:17 -500.658869 8.989229 BFGS: 106 10:53:17 -501.868404 9.098400 BFGS: 107 10:53:17 -503.068020 9.210298 BFGS: 108 10:53:17 -504.257070 9.317453 BFGS: 109 10:53:17 -505.435465 9.427596 BFGS: 110 10:53:17 -506.603399 9.533306 BFGS: 111 10:53:17 -507.762061 9.641016 BFGS: 112 10:53:18 -508.911095 9.745367 BFGS: 113 10:53:18 -510.050755 9.850555 BFGS: 114 10:53:18 -511.181247 9.953712 BFGS: 115 10:53:18 -512.303787 10.058593 BFGS: 116 10:53:18 -513.419273 10.159669 BFGS: 117 10:53:18 -514.528766 10.261422 BFGS: 118 10:53:18 -515.632631 10.360808 BFGS: 119 10:53:18 -516.731936 10.459564 BFGS: 120 10:53:18 -517.827480 10.556242 BFGS: 121 10:53:18 -518.920422 10.651892 BFGS: 122 10:53:18 -520.012204 10.745197 BFGS: 123 10:53:18 -521.103812 10.838733 BFGS: 124 10:53:18 -522.196586 10.929574 BFGS: 125 10:53:18 -523.292708 11.019931 BFGS: 126 10:53:18 -524.393116 11.107055 BFGS: 127 10:53:18 -525.498282 11.192600 BFGS: 128 10:53:18 -526.608881 11.275617 BFGS: 129 10:53:18 -527.724134 11.356775 BFGS: 130 10:53:18 -528.848314 11.435975 BFGS: 131 10:53:18 -529.986555 11.511735 BFGS: 132 10:53:18 -531.145111 11.585191 BFGS: 133 10:53:18 -532.331104 11.656725 BFGS: 134 10:53:18 -533.554400 11.720185 BFGS: 135 10:53:19 -534.825788 11.785713 BFGS: 136 10:53:19 -536.133169 11.843762 BFGS: 137 10:53:19 -537.460876 11.894384 BFGS: 138 10:53:19 -538.811454 11.932396 BFGS: 139 10:53:19 -540.191481 11.965068 BFGS: 140 10:53:19 -541.604589 11.977029 BFGS: 141 10:53:19 -543.062670 11.989050 BFGS: 142 10:53:19 -544.474056 12.033960 BFGS: 143 10:53:19 -546.048837 11.979483 BFGS: 144 10:53:19 -547.571268 12.048133 BFGS: 145 10:53:19 -549.122286 12.084461 BFGS: 146 10:53:19 -550.623924 12.144836 BFGS: 147 10:53:19 -551.816976 12.348424 BFGS: 148 10:53:19 -553.673708 12.049561 BFGS: 149 10:53:19 -555.075853 12.043867 BFGS: 150 10:53:19 -556.491860 12.047360 BFGS: 151 10:53:19 -557.967586 12.043739 BFGS: 152 10:53:19 -559.516429 12.030825 BFGS: 153 10:53:19 -561.072365 12.009389 BFGS: 154 10:53:19 -562.608814 11.981424 BFGS: 155 10:53:20 -564.118912 11.946899 BFGS: 156 10:53:20 -565.593268 11.906021 BFGS: 157 10:53:20 -567.022513 11.859514 BFGS: 158 10:53:20 -568.396811 11.806506 BFGS: 159 10:53:20 -569.708022 11.749607 BFGS: 160 10:53:20 -570.949537 11.685869 BFGS: 161 10:53:20 -572.115087 11.617123 BFGS: 162 10:53:20 -573.202572 11.541176 BFGS: 163 10:53:20 -574.209766 11.459204 BFGS: 164 10:53:20 -575.137104 11.369941 BFGS: 165 10:53:20 -575.988680 11.277138 BFGS: 166 10:53:20 -576.767343 11.173541 BFGS: 167 10:53:20 -577.480309 11.068866 BFGS: 168 10:53:20 -578.132238 10.948011 BFGS: 169 10:53:20 -578.731503 10.833135 BFGS: 170 10:53:20 -579.281379 10.692380 BFGS: 171 10:53:20 -579.791833 10.574430 BFGS: 172 10:53:20 -580.262367 10.408965 BFGS: 173 10:53:20 -580.704950 10.283704 BFGS: 174 10:53:20 -581.116749 10.110144 BFGS: 175 10:53:20 -581.507833 9.956442 BFGS: 176 10:53:20 -581.878654 9.780493 BFGS: 177 10:53:20 -582.234421 9.604931 BFGS: 178 10:53:20 -582.577387 9.418003 BFGS: 179 10:53:20 -582.910594 9.225414 BFGS: 180 10:53:21 -583.236247 9.024375 BFGS: 181 10:53:21 -583.556213 8.815895 BFGS: 182 10:53:21 -583.871885 8.599750 BFGS: 183 10:53:21 -584.184864 8.375459 BFGS: 184 10:53:21 -584.496367 8.142998 BFGS: 185 10:53:21 -584.807011 7.901861 BFGS: 186 10:53:21 -585.117687 7.650552 BFGS: 187 10:53:21 -585.428908 7.389945 BFGS: 188 10:53:21 -585.736203 7.121852 BFGS: 189 10:53:21 -586.023372 6.862475 BFGS: 190 10:53:21 -586.292754 6.610811 BFGS: 191 10:53:21 -586.546539 6.366700 BFGS: 192 10:53:21 -586.785813 6.129705 BFGS: 193 10:53:21 -587.011941 5.899114 BFGS: 194 10:53:21 -587.225594 5.675170 BFGS: 195 10:53:22 -587.427611 5.457116 BFGS: 196 10:53:22 -587.618454 5.244821 BFGS: 197 10:53:22 -587.798560 5.038114 BFGS: 198 10:53:22 -587.968461 4.837746 BFGS: 199 10:53:22 -588.127938 4.641494 BFGS: 200 10:53:22 -588.277807 4.450242 BFGS: 201 10:53:22 -588.418549 4.263837 BFGS: 202 10:53:22 -588.550755 4.081581 BFGS: 203 10:53:22 -588.675149 3.903403 BFGS: 204 10:53:22 -588.792762 3.772974 BFGS: 205 10:53:22 -588.904963 3.739721 BFGS: 206 10:53:22 -589.013853 3.693818 BFGS: 207 10:53:22 -589.121920 3.629664 BFGS: 208 10:53:22 -589.234512 3.541172 BFGS: 209 10:53:22 -589.360157 3.414841 BFGS: 210 10:53:22 -589.515145 3.221554 BFGS: 211 10:53:22 -589.659440 3.025934 BFGS: 212 10:53:22 -589.814237 2.826672 BFGS: 213 10:53:22 -589.987915 2.623680 BFGS: 214 10:53:22 -590.183566 2.500004 BFGS: 215 10:53:22 -590.402213 2.398448 BFGS: 216 10:53:23 -590.606101 2.295055 BFGS: 217 10:53:23 -590.789027 2.195782 BFGS: 218 10:53:23 -590.958942 2.098894 BFGS: 219 10:53:23 -591.120256 2.002828 BFGS: 220 10:53:23 -591.275409 1.906922 BFGS: 221 10:53:23 -591.425809 1.812072 BFGS: 222 10:53:23 -591.572303 1.768207 BFGS: 223 10:53:23 -591.715610 1.731006 BFGS: 224 10:53:23 -591.856197 1.692613 BFGS: 225 10:53:23 -591.993929 1.653364 BFGS: 226 10:53:23 -592.129323 1.612753 BFGS: 227 10:53:23 -592.262567 1.569541 BFGS: 228 10:53:23 -592.393180 1.527197 BFGS: 229 10:53:23 -592.521411 1.520056 BFGS: 230 10:53:23 -592.647441 1.518536 BFGS: 231 10:53:23 -592.771172 1.512500 BFGS: 232 10:53:23 -592.892519 1.502076 BFGS: 233 10:53:23 -593.011444 1.487023 BFGS: 234 10:53:23 -593.127685 1.467142 BFGS: 235 10:53:23 -593.241169 1.444421 BFGS: 236 10:53:23 -593.351784 1.418684 BFGS: 237 10:53:24 -593.459301 1.388432 BFGS: 238 10:53:24 -593.563736 1.354395 BFGS: 239 10:53:24 -593.664997 1.316772 BFGS: 240 10:53:24 -593.762905 1.275675 BFGS: 241 10:53:24 -593.857116 1.231971 BFGS: 242 10:53:24 -593.947538 1.184683 BFGS: 243 10:53:24 -594.034116 1.134294 BFGS: 244 10:53:24 -594.116807 1.080138 BFGS: 245 10:53:24 -594.195310 1.021903 BFGS: 246 10:53:24 -594.269303 0.963944 BFGS: 247 10:53:24 -594.338952 0.903425 BFGS: 248 10:53:24 -594.404114 0.840507 BFGS: 249 10:53:24 -594.464663 0.775283 BFGS: 250 10:53:24 -594.520654 0.708071 BFGS: 251 10:53:24 -594.571710 0.638386 BFGS: 252 10:53:24 -594.617936 0.568329 BFGS: 253 10:53:24 -594.659301 0.496596 BFGS: 254 10:53:24 -594.695765 0.424541 BFGS: 255 10:53:24 -594.727297 0.379743 BFGS: 256 10:53:24 -594.753894 0.333165 BFGS: 257 10:53:24 -594.775575 0.284804 BFGS: 258 10:53:24 -594.792547 0.232963 BFGS: 259 10:53:24 -594.805012 0.184515 BFGS: 260 10:53:24 -594.812909 0.135714 BFGS: 261 10:53:24 -594.816689 0.140217 BFGS: 262 10:53:24 -594.817646 0.140155 BFGS: 263 10:53:24 -594.819258 0.136968 BFGS: 264 10:53:24 -594.822027 0.128005 BFGS: 265 10:53:25 -594.825001 0.112292 BFGS: 266 10:53:25 -594.827169 0.137475 BFGS: 267 10:53:25 -594.828432 0.117006 BFGS: 268 10:53:25 -594.829665 0.075684 BFGS: 269 10:53:25 -594.830734 0.054073 BFGS: 270 10:53:25 -594.831660 0.040948 BFGS: 271 10:53:25 -594.832144 0.028786 BFGS: 272 10:53:25 -594.832305 0.019989 BFGS: 273 10:53:25 -594.832373 0.016687 BFGS: 274 10:53:25 -594.832390 0.012963 BFGS: 275 10:53:25 -594.832396 0.007072 BFGS: 276 10:53:25 -594.832398 0.003426 BFGS: 277 10:53:25 -594.832399 0.001640 BFGS: 278 10:53:25 -594.832400 0.001800 BFGS: 279 10:53:25 -594.832400 0.001834 BFGS: 280 10:53:25 -594.832401 0.001349 BFGS: 281 10:53:25 -594.832401 0.000646 BFGS: 282 10:53:25 -594.832401 0.000203 BFGS: 283 10:53:25 -594.832401 0.000056 BFGS: 284 10:53:25 -594.832401 0.000035 BFGS: 285 10:53:25 -594.832401 0.000025 BFGS: 286 10:53:25 -594.832401 0.000017 BFGS: 287 10:53:26 -594.832401 0.000007 BFGS: 288 10:53:26 -594.832401 0.000001 BFGS: 289 10:53:26 -594.832401 0.000000 BFGS: 290 10:53:26 -594.832401 0.000000 BFGS: 291 10:53:26 -594.832401 0.000000 BFGS: 292 10:53:26 -594.832401 0.000000 BFGS: 293 10:53:26 -594.832401 0.000000 Minimization converged after 293 steps. Maximum force component: 4.8616707174155475e-09 eV/Angstrom Maximum stress component: 7.864444853027642e-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] [0.00000000e+00 9.40422224e-01 7.91095596e-01] [0.00000000e+00 5.95777755e-02 2.08904404e-01] [3.10697117e-34 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] [6.32470919e-36 2.29391910e-01 9.03353136e-01] [1.22633534e-36 2.70608090e-01 4.03353136e-01] [0.00000000e+00 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([[10.537250375975924, -9.242924811917398e-36, 0.0], [-8.164633349394634e-36, 10.55413591514941, 0.0], [0.0, 0.0, 4.878477464246808]]) forces = [[-2.63464747e-45 3.40571661e-09 4.54159575e-09] [ 2.63464747e-45 -3.40571661e-09 4.54159575e-09] [-2.63464747e-45 3.40571661e-09 -4.54159575e-09] [ 2.63464747e-45 -3.40571661e-09 -4.54159575e-09] [-2.63464747e-45 3.40571661e-09 4.54159575e-09] [ 2.63464747e-45 -3.40571661e-09 4.54159575e-09] [-2.63464747e-45 3.40571661e-09 -4.54159575e-09] [ 2.63464747e-45 -3.40571661e-09 -4.54159575e-09] [ 8.96598048e-10 -2.77748557e-09 -2.32147121e-10] [-8.96598048e-10 2.77748557e-09 -2.32147121e-10] [-8.96598048e-10 -2.77748557e-09 2.32147121e-10] [ 8.96598048e-10 2.77748557e-09 2.32147121e-10] [ 8.96598048e-10 -2.77748557e-09 -2.32147121e-10] [-8.96598048e-10 2.77748557e-09 -2.32147121e-10] [-8.96598048e-10 -2.77748557e-09 2.32147121e-10] [ 8.96598048e-10 2.77748557e-09 2.32147121e-10] [-8.96598048e-10 2.77748557e-09 2.32147121e-10] [ 8.96598048e-10 -2.77748557e-09 2.32147121e-10] [ 8.96598048e-10 2.77748557e-09 -2.32147121e-10] [-8.96598048e-10 -2.77748557e-09 -2.32147121e-10] [-8.96598048e-10 2.77748557e-09 2.32147121e-10] [ 8.96598048e-10 -2.77748557e-09 2.32147121e-10] [ 8.96598048e-10 2.77748557e-09 -2.32147121e-10] [-8.96598048e-10 -2.77748557e-09 -2.32147121e-10] [-4.86002593e-10 4.26305276e-46 0.00000000e+00] [ 4.86002593e-10 -1.04071815e-30 1.92422007e-30] [-4.86002593e-10 5.20359076e-31 0.00000000e+00] [ 4.86002593e-10 -4.26305276e-46 0.00000000e+00] [ 4.86002593e-10 -4.26305276e-46 0.00000000e+00] [-4.86002593e-10 1.04071815e-30 -1.92422007e-30] [ 4.86002593e-10 -5.20359076e-31 0.00000000e+00] [-4.86002593e-10 4.26305276e-46 -3.84844015e-30] [-7.38655840e-46 9.54834564e-10 0.00000000e+00] [ 6.23431865e-30 -9.54834564e-10 -1.25074305e-29] [-3.94840181e-29 9.54834564e-10 -2.69390810e-29] [-1.24686373e-29 -9.54834564e-10 -1.53937606e-29] [-4.15621244e-30 -9.54834564e-10 -1.92422007e-30] [-4.15621244e-30 9.54834564e-10 -1.15453204e-29] [ 1.66248497e-29 -9.54834564e-10 3.84844015e-30] [ 2.07810622e-29 9.54834564e-10 0.00000000e+00] [-2.09761537e-46 2.71151401e-10 4.86167072e-09] [ 2.09761537e-46 -2.71151401e-10 4.86167072e-09] [-2.09761537e-46 2.71151401e-10 -4.86167072e-09] [ 2.09761537e-46 -2.71151401e-10 -4.86167072e-09] [-2.09761537e-46 2.71151401e-10 4.86167072e-09] [ 2.09761537e-46 -2.71151401e-10 4.86167072e-09] [-2.09761537e-46 2.71151401e-10 -4.86167072e-09] [ 2.09761537e-46 -2.71151401e-10 -4.86167072e-09]] stress = [-6.83252271e-11 4.46032790e-11 -7.86444485e-11 0.00000000e+00 0.00000000e+00 -3.54666734e-33] energy per atom = -12.392341689455181 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0