element(s): ['O', 'Si'] AFLOW prototype label: A2B_oF216_69_himn3p_f2mp Parameter names: ['a', 'b/a', 'c/a', 'y2', 'z3', 'y4', 'z4', 'y5', 'z5', 'y6', 'z6', 'x7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['17.7678', '0.77069193', '1.0163498', '0.30258737', '0.14901072', '0.81312348', '0.11580757', '0.30035649', '0.91112624', '0.39011746', '0.68350519', '0.84874492', '0.31836228', '0.80138639', '0.31809018', '0.80381751', '0.92508985', '0.37370542', '0.73399681', '0.92491515', '0.35608132', '0.88131546', '0.87530517', '0.38693959', '0.80936779'] model name: Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0.30258737 0. ] [0. 0. 0.14901072] [0. 0.81312348 0.11580757] [0.84874492 0. 0.31836228] [0.80138639 0.81809018 0.30381751] [0.92508985 0.37370542 0.73399681] [0.92491515 0.35608132 0.88131546] [0.25 0.25 0.25 ] [0. 0.30035649 0.91112624] [0. 0.39011746 0.68350519] [0.87530517 0.38693959 0.80936779]] spacegroup = 69 cell = [[17.7678, 0, 0], [0, 13.6935, 0], [0, 0, 18.0583]] ========================================= Step Time Energy fmax BFGS: 0 11:15:41 -4146.076553 3.677344 BFGS: 1 11:15:42 -4159.073028 1.537099 BFGS: 2 11:15:48 -4161.685990 0.956646 BFGS: 3 11:16:05 -4162.889272 0.688881 BFGS: 4 11:16:10 -4163.447670 0.424070 BFGS: 5 11:16:13 -4163.610920 0.177431 BFGS: 6 11:16:15 -4163.649823 0.164599 BFGS: 7 11:16:17 -4163.669239 0.173746 BFGS: 8 11:16:20 -4163.687229 0.176086 BFGS: 9 11:16:24 -4163.691920 0.175265 BFGS: 10 11:16:27 -4163.699677 0.169899 BFGS: 11 11:16:31 -4163.701269 0.163289 BFGS: 12 11:16:34 -4163.696019 0.156296 BFGS: 13 11:16:37 -4163.700457 0.149410 BFGS: 14 11:16:42 -4163.706406 0.139667 BFGS: 15 11:16:45 -4163.718657 0.126251 BFGS: 16 11:16:48 -4163.726080 0.111842 BFGS: 17 11:16:50 -4163.733438 0.101924 BFGS: 18 11:16:52 -4163.743145 0.097176 BFGS: 19 11:16:54 -4163.747698 0.094845 BFGS: 20 11:16:56 -4163.752777 0.092597 BFGS: 21 11:16:57 -4163.755094 0.095724 BFGS: 22 11:16:59 -4163.762582 0.110494 BFGS: 23 11:17:06 -4163.770113 0.107605 BFGS: 24 11:17:10 -4163.777536 0.093707 BFGS: 25 11:17:14 -4163.785536 0.074528 BFGS: 26 11:17:20 -4163.787845 0.068064 BFGS: 27 11:17:24 -4163.792880 0.070165 BFGS: 28 11:17:28 -4163.794678 0.069163 BFGS: 29 11:17:30 -4163.793365 0.079211 BFGS: 30 11:17:32 -4163.799810 0.085688 BFGS: 31 11:17:35 -4163.802199 0.087975 BFGS: 32 11:17:37 -4163.808073 0.085476 BFGS: 33 11:17:43 -4163.813208 0.077042 BFGS: 34 11:17:51 -4163.813193 0.059996 BFGS: 35 11:18:00 -4163.815901 0.035181 BFGS: 36 11:18:10 -4163.816666 0.020064 BFGS: 37 11:18:18 -4163.817258 0.020289 BFGS: 38 11:18:25 -4163.817549 0.020647 BFGS: 39 11:18:30 -4163.818048 0.020305 BFGS: 40 11:18:39 -4163.818373 0.019028 BFGS: 41 11:18:50 -4163.818323 0.017167 BFGS: 42 11:19:05 -4163.818389 0.015507 BFGS: 43 11:19:19 -4163.818491 0.013625 BFGS: 44 11:19:34 -4163.818756 0.012644 BFGS: 45 11:19:43 -4163.819220 0.012800 BFGS: 46 11:19:51 -4163.819429 0.012168 BFGS: 47 11:19:58 -4163.819651 0.011561 BFGS: 48 11:20:10 -4163.819630 0.011296 BFGS: 49 11:20:21 -4163.819688 0.011360 BFGS: 50 11:20:33 -4163.819679 0.011659 BFGS: 51 11:20:44 -4163.819726 0.012001 BFGS: 52 11:20:49 -4163.819788 0.012280 BFGS: 53 11:20:52 -4163.819863 0.012334 BFGS: 54 11:20:57 -4163.819888 0.011856 BFGS: 55 11:20:58 -4163.815480 0.010596 BFGS: 56 11:20:59 -4163.815684 0.009063 BFGS: 57 11:21:01 -4163.815963 0.007780 BFGS: 58 11:21:02 -4163.816039 0.007571 BFGS: 59 11:21:04 -4163.816106 0.007733 BFGS: 60 11:21:06 -4163.816053 0.007895 BFGS: 61 11:21:08 -4163.816079 0.007999 BFGS: 62 11:21:10 -4163.816098 0.007988 BFGS: 63 11:21:13 -4163.816109 0.007785 BFGS: 64 11:21:15 -4163.816124 0.007362 BFGS: 65 11:21:19 -4163.816200 0.007915 BFGS: 66 11:21:23 -4163.816293 0.012020 BFGS: 67 11:21:28 -4163.816354 0.016220 BFGS: 68 11:21:31 -4163.816651 0.018104 BFGS: 69 11:21:33 -4163.817033 0.015279 BFGS: 70 11:21:34 -4163.812066 0.007105 BFGS: 71 11:21:40 -4163.812168 0.001354 BFGS: 72 11:21:43 -4163.812216 0.000601 BFGS: 73 11:21:45 -4163.812224 0.000510 BFGS: 74 11:21:48 -4163.812252 0.000513 BFGS: 75 11:21:50 -4163.812258 0.000521 BFGS: 76 11:21:52 -4163.812275 0.000529 BFGS: 77 11:21:53 -4163.812277 0.000543 BFGS: 78 11:21:55 -4163.812324 0.000556 BFGS: 79 11:22:04 -4163.812178 0.000711 BFGS: 80 11:22:16 -4163.812357 0.001008 BFGS: 81 11:22:24 -4163.812306 0.001108 BFGS: 82 11:22:32 -4163.812288 0.000759 BFGS: 83 11:22:38 -4163.812322 0.000241 BFGS: 84 11:22:44 -4163.812380 0.000021 BFGS: 85 11:22:51 -4163.812341 0.000006 BFGS: 86 11:22:56 -4163.812269 0.000003 BFGS: 87 11:22:59 -4163.812332 0.000001 BFGS: 88 11:23:03 -4163.812319 0.000001 BFGS: 89 11:23:08 -4163.812324 0.000001 BFGS: 90 11:23:16 -4163.812307 0.000001 BFGS: 91 11:23:20 -4163.812358 0.000002 BFGS: 92 11:23:23 -4163.812320 0.000001 BFGS: 93 11:23:27 -4163.812324 0.000001 BFGS: 94 11:23:31 -4163.812284 0.000000 BFGS: 95 11:23:34 -4163.812366 0.000001 BFGS: 96 11:23:39 -4163.812346 0.000000 BFGS: 97 11:23:41 -4163.812325 0.000001 BFGS: 98 11:23:43 -4163.812312 0.000001 BFGS: 99 11:23:45 -4163.812338 0.000001 BFGS: 100 11:23:48 -4163.812350 0.000000 BFGS: 101 11:23:50 -4163.812324 0.000001 BFGS: 102 11:23:52 -4163.812314 0.000000 BFGS: 103 11:23:55 -4163.812364 0.000001 BFGS: 104 11:23:57 -4163.812341 0.000001 BFGS: 105 11:23:59 -4163.812326 0.000001 BFGS: 106 11:24:01 -4163.812323 0.000000 BFGS: 107 11:24:03 -4163.812361 0.000001 BFGS: 108 11:24:04 -4163.812323 0.000000 BFGS: 109 11:24:06 -4163.812328 0.000000 BFGS: 110 11:24:08 -4163.812355 0.000001 BFGS: 111 11:24:10 -4163.812323 0.000000 BFGS: 112 11:24:12 -4163.812326 0.000000 BFGS: 113 11:24:14 -4163.812323 0.000000 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11:25:36 -4163.812330 0.000000 BFGS: 139 11:25:39 -4163.812329 0.000000 BFGS: 140 11:25:39 -4163.812323 0.000000 BFGS: 141 11:25:40 -4163.812346 0.000001 BFGS: 142 11:25:41 -4163.812326 0.000000 BFGS: 143 11:25:46 -4163.812332 0.000000 BFGS: 144 11:25:51 -4163.812325 0.000000 BFGS: 145 11:25:56 -4163.812324 0.000000 BFGS: 146 11:26:03 -4163.812323 0.000000 BFGS: 147 11:26:09 -4163.812324 0.000000 BFGS: 148 11:26:17 -4163.812327 0.000000 BFGS: 149 11:26:22 -4163.812323 0.000000 BFGS: 150 11:26:29 -4163.812324 0.000000 BFGS: 151 11:26:31 -4163.812349 0.000001 BFGS: 152 11:26:34 -4163.812323 0.000000 BFGS: 153 11:26:38 -4163.812324 0.000000 BFGS: 154 11:26:45 -4163.812324 0.000000 BFGS: 155 11:26:51 -4163.812323 0.000000 BFGS: 156 11:26:56 -4163.812327 0.000000 BFGS: 157 11:27:01 -4163.812326 0.000000 BFGS: 158 11:27:07 -4163.812323 0.000000 BFGS: 159 11:27:10 -4163.812350 0.000001 BFGS: 160 11:27:16 -4163.812329 0.000000 BFGS: 161 11:27:19 -4163.812324 0.000000 BFGS: 162 11:27:22 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0.000000 BFGS: 187 11:30:06 -4163.812327 0.000000 BFGS: 188 11:30:16 -4163.812323 0.000000 BFGS: 189 11:30:28 -4163.812353 0.000001 BFGS: 190 11:30:33 -4163.812321 0.000000 BFGS: 191 11:30:40 -4163.812324 0.000000 BFGS: 192 11:30:45 -4163.812325 0.000000 BFGS: 193 11:30:47 -4163.812326 0.000000 BFGS: 194 11:30:50 -4163.812323 0.000000 BFGS: 195 11:30:53 -4163.812327 0.000000 BFGS: 196 11:30:56 -4163.812324 0.000000 BFGS: 197 11:31:06 -4163.812323 0.000000 BFGS: 198 11:31:18 -4163.812323 0.000000 BFGS: 199 11:31:24 -4163.812352 0.000001 BFGS: 200 11:31:30 -4163.812323 0.000000 BFGS: 201 11:31:36 -4163.812324 0.000000 BFGS: 202 11:31:40 -4163.812323 0.000000 BFGS: 203 11:31:51 -4163.812323 0.000000 BFGS: 204 11:31:57 -4163.812333 0.000000 BFGS: 205 11:31:59 -4163.812324 0.000000 BFGS: 206 11:32:02 -4163.812323 0.000000 BFGS: 207 11:32:04 -4163.812323 0.000000 BFGS: 208 11:32:12 -4163.812330 0.000000 BFGS: 209 11:32:20 -4163.812344 0.000001 BFGS: 210 11:32:28 -4163.812321 0.000000 BFGS: 211 11:32:35 -4163.812325 0.000000 BFGS: 212 11:32:42 -4163.812351 0.000001 BFGS: 213 11:32:47 -4163.812320 0.000000 BFGS: 214 11:32:55 -4163.812323 0.000000 BFGS: 215 11:33:00 -4163.812323 0.000000 BFGS: 216 11:33:08 -4163.812324 0.000000 BFGS: 217 11:33:15 -4163.812334 0.000000 BFGS: 218 11:33:21 -4163.812325 0.000000 BFGS: 219 11:33:28 -4163.812323 0.000000 BFGS: 220 11:33:32 -4163.812324 0.000000 BFGS: 221 11:33:36 -4163.812327 0.000000 BFGS: 222 11:33:40 -4163.812324 0.000000 BFGS: 223 11:33:44 -4163.812324 0.000000 BFGS: 224 11:33:47 -4163.812351 0.000001 BFGS: 225 11:33:51 -4163.812322 0.000000 BFGS: 226 11:33:56 -4163.812321 0.000000 BFGS: 227 11:34:02 -4163.812324 0.000000 BFGS: 228 11:34:05 -4163.812323 0.000000 BFGS: 229 11:34:08 -4163.812324 0.000000 BFGS: 230 11:34:14 -4163.812333 0.000000 BFGS: 231 11:34:19 -4163.812327 0.000000 BFGS: 232 11:34:24 -4163.812325 0.000000 BFGS: 233 11:34:27 -4163.812324 0.000000 BFGS: 234 11:34:33 -4163.812324 0.000000 BFGS: 235 11:34:37 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20:15:04 -4163.812323 0.000000 BFGS: 9897 20:15:05 -4163.812329 0.000000 BFGS: 9898 20:15:09 -4163.812324 0.000000 BFGS: 9899 20:15:15 -4163.812322 0.000000 BFGS: 9900 20:15:23 -4163.812347 0.000001 BFGS: 9901 20:15:24 -4163.812324 0.000000 BFGS: 9902 20:15:26 -4163.812327 0.000000 BFGS: 9903 20:15:29 -4163.812323 0.000000 BFGS: 9904 20:15:35 -4163.812324 0.000000 BFGS: 9905 20:15:44 -4163.812330 0.000000 BFGS: 9906 20:15:51 -4163.812331 0.000000 BFGS: 9907 20:15:55 -4163.812324 0.000000 BFGS: 9908 20:16:00 -4163.812323 0.000000 BFGS: 9909 20:16:02 -4163.812327 0.000000 BFGS: 9910 20:16:04 -4163.812324 0.000000 BFGS: 9911 20:16:07 -4163.812323 0.000000 BFGS: 9912 20:16:12 -4163.812345 0.000001 BFGS: 9913 20:16:16 -4163.812324 0.000000 BFGS: 9914 20:16:18 -4163.812328 0.000000 BFGS: 9915 20:16:24 -4163.812323 0.000000 BFGS: 9916 20:16:26 -4163.812323 0.000000 BFGS: 9917 20:16:31 -4163.812329 0.000000 BFGS: 9918 20:16:34 -4163.812324 0.000000 BFGS: 9919 20:16:36 -4163.812323 0.000000 BFGS: 9920 20:16:39 -4163.812329 0.000000 BFGS: 9921 20:16:41 -4163.812328 0.000000 BFGS: 9922 20:16:44 -4163.812324 0.000000 BFGS: 9923 20:16:49 -4163.812323 0.000000 BFGS: 9924 20:16:52 -4163.812347 0.000001 BFGS: 9925 20:16:54 -4163.812327 0.000000 BFGS: 9926 20:16:56 -4163.812323 0.000000 BFGS: 9927 20:17:00 -4163.812324 0.000000 BFGS: 9928 20:17:05 -4163.812323 0.000000 BFGS: 9929 20:17:07 -4163.812329 0.000000 BFGS: 9930 20:17:09 -4163.812323 0.000000 BFGS: 9931 20:17:13 -4163.812323 0.000000 BFGS: 9932 20:17:14 -4163.812331 0.000000 BFGS: 9933 20:17:16 -4163.812328 0.000000 BFGS: 9934 20:17:18 -4163.812347 0.000001 BFGS: 9935 20:17:20 -4163.812323 0.000000 BFGS: 9936 20:17:21 -4163.812324 0.000000 BFGS: 9937 20:17:22 -4163.812328 0.000000 BFGS: 9938 20:17:24 -4163.812323 0.000000 BFGS: 9939 20:17:29 -4163.812323 0.000000 BFGS: 9940 20:17:30 -4163.812328 0.000000 BFGS: 9941 20:17:32 -4163.812323 0.000000 BFGS: 9942 20:17:35 -4163.812323 0.000000 BFGS: 9943 20:17:37 -4163.812326 0.000000 BFGS: 9944 20:17:39 -4163.812357 0.000001 BFGS: 9945 20:17:41 -4163.812323 0.000000 BFGS: 9946 20:17:44 -4163.812323 0.000000 BFGS: 9947 20:17:46 -4163.812324 0.000000 BFGS: 9948 20:17:48 -4163.812323 0.000000 BFGS: 9949 20:17:49 -4163.812327 0.000000 BFGS: 9950 20:17:51 -4163.812324 0.000000 BFGS: 9951 20:17:54 -4163.812326 0.000000 BFGS: 9952 20:17:55 -4163.812324 0.000000 BFGS: 9953 20:18:06 -4163.812327 0.000000 BFGS: 9954 20:18:10 -4163.812323 0.000000 BFGS: 9955 20:18:13 -4163.812324 0.000000 BFGS: 9956 20:18:17 -4163.812357 0.000001 BFGS: 9957 20:18:21 -4163.812323 0.000000 BFGS: 9958 20:18:25 -4163.812323 0.000000 BFGS: 9959 20:18:28 -4163.812324 0.000000 BFGS: 9960 20:18:31 -4163.812328 0.000000 BFGS: 9961 20:18:32 -4163.812323 0.000000 BFGS: 9962 20:18:35 -4163.812323 0.000000 BFGS: 9963 20:18:37 -4163.812326 0.000000 BFGS: 9964 20:18:38 -4163.812325 0.000000 BFGS: 9965 20:18:41 -4163.812324 0.000000 BFGS: 9966 20:18:42 -4163.812347 0.000001 BFGS: 9967 20:18:44 -4163.812323 0.000000 BFGS: 9968 20:18:48 -4163.812323 0.000000 BFGS: 9969 20:18:49 -4163.812329 0.000000 BFGS: 9970 20:18:51 -4163.812323 0.000000 BFGS: 9971 20:18:56 -4163.812324 0.000000 BFGS: 9972 20:18:58 -4163.812333 0.000000 BFGS: 9973 20:19:00 -4163.812324 0.000000 BFGS: 9974 20:19:01 -4163.812324 0.000000 BFGS: 9975 20:19:04 -4163.812324 0.000000 BFGS: 9976 20:19:07 -4163.812327 0.000000 BFGS: 9977 20:19:09 -4163.812323 0.000000 BFGS: 9978 20:19:11 -4163.812347 0.000001 BFGS: 9979 20:19:14 -4163.812324 0.000000 BFGS: 9980 20:19:18 -4163.812325 0.000000 BFGS: 9981 20:19:28 -4163.812324 0.000000 BFGS: 9982 20:19:38 -4163.812326 0.000000 BFGS: 9983 20:19:47 -4163.812323 0.000000 BFGS: 9984 20:19:54 -4163.812327 0.000000 BFGS: 9985 20:19:56 -4163.812331 0.000000 BFGS: 9986 20:19:58 -4163.812323 0.000000 BFGS: 9987 20:20:01 -4163.812325 0.000000 BFGS: 9988 20:20:04 -4163.812328 0.000000 BFGS: 9989 20:20:06 -4163.812324 0.000000 BFGS: 9990 20:20:08 -4163.812345 0.000001 BFGS: 9991 20:20:09 -4163.812323 0.000000 BFGS: 9992 20:20:10 -4163.812328 0.000000 BFGS: 9993 20:20:13 -4163.812323 0.000000 BFGS: 9994 20:20:16 -4163.812323 0.000000 BFGS: 9995 20:20:17 -4163.812330 0.000000 BFGS: 9996 20:20:20 -4163.812323 0.000000 BFGS: 9997 20:20:26 -4163.812324 0.000000 BFGS: 9998 20:20:33 -4163.812329 0.000000 BFGS: 9999 20:20:43 -4163.812323 0.000000 BFGS: 10000 20:20:45 -4163.812352 0.000001 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 3.870079302554674e-07 eV/Angstrom Maximum stress component: 6.2219284587210055e-09 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 3.01281813e-01 5.75248850e-36] [0.00000000e+00 6.98718187e-01 0.00000000e+00] [0.00000000e+00 8.01281813e-01 5.00000000e-01] [0.00000000e+00 1.98718187e-01 5.00000000e-01] [5.00000000e-01 3.01281813e-01 5.00000000e-01] [5.00000000e-01 6.98718187e-01 5.00000000e-01] [5.00000000e-01 8.01281813e-01 5.84596313e-36] [5.00000000e-01 1.98718187e-01 0.00000000e+00] [8.95415897e-38 0.00000000e+00 1.57475738e-01] [4.44267116e-37 0.00000000e+00 8.42524262e-01] [8.93380485e-37 5.00000000e-01 6.57475738e-01] [8.11186223e-37 5.00000000e-01 3.42524262e-01] [5.00000000e-01 0.00000000e+00 6.57475738e-01] [5.00000000e-01 0.00000000e+00 3.42524262e-01] [5.00000000e-01 5.00000000e-01 1.57475738e-01] [5.00000000e-01 5.00000000e-01 8.42524262e-01] [0.00000000e+00 8.07973246e-01 1.21509181e-01] [2.09080229e-38 1.92026754e-01 1.21509181e-01] [1.26534187e-36 8.07973246e-01 8.78490819e-01] [3.00321401e-36 1.92026754e-01 8.78490819e-01] [0.00000000e+00 3.07973246e-01 6.21509181e-01] [2.87252844e-37 6.92026754e-01 6.21509181e-01] [1.63626378e-36 3.07973246e-01 3.78490819e-01] [3.05322466e-36 6.92026754e-01 3.78490819e-01] [5.00000000e-01 8.07973246e-01 6.21509181e-01] [5.00000000e-01 1.92026754e-01 6.21509181e-01] [5.00000000e-01 8.07973246e-01 3.78490819e-01] [5.00000000e-01 1.92026754e-01 3.78490819e-01] [5.00000000e-01 3.07973246e-01 1.21509181e-01] [5.00000000e-01 6.92026754e-01 1.21509181e-01] [5.00000000e-01 3.07973246e-01 8.78490819e-01] [5.00000000e-01 6.92026754e-01 8.78490819e-01] [8.55168047e-01 0.00000000e+00 3.16728454e-01] [1.44831953e-01 0.00000000e+00 3.16728454e-01] [1.44831953e-01 1.12021532e-36 6.83271546e-01] [8.55168047e-01 1.65560674e-36 6.83271546e-01] [8.55168047e-01 5.00000000e-01 8.16728454e-01] [1.44831953e-01 5.00000000e-01 8.16728454e-01] [1.44831953e-01 5.00000000e-01 1.83271546e-01] [8.55168047e-01 5.00000000e-01 1.83271546e-01] [3.55168047e-01 0.00000000e+00 8.16728454e-01] [6.44831953e-01 6.03020214e-37 8.16728454e-01] [6.44831953e-01 1.05320721e-36 1.83271546e-01] [3.55168047e-01 0.00000000e+00 1.83271546e-01] [3.55168047e-01 5.00000000e-01 3.16728454e-01] [6.44831953e-01 5.00000000e-01 3.16728454e-01] [6.44831953e-01 5.00000000e-01 6.83271546e-01] [3.55168047e-01 5.00000000e-01 6.83271546e-01] [8.03357616e-01 8.18764415e-01 2.98814767e-01] [1.96642384e-01 1.81235585e-01 2.98814767e-01] [1.96642384e-01 8.18764415e-01 7.01185233e-01] [8.03357616e-01 1.81235585e-01 7.01185233e-01] [8.03357616e-01 3.18764415e-01 7.98814767e-01] [1.96642384e-01 6.81235585e-01 7.98814767e-01] [1.96642384e-01 3.18764415e-01 2.01185233e-01] [8.03357616e-01 6.81235585e-01 2.01185233e-01] [3.03357616e-01 8.18764415e-01 7.98814767e-01] [6.96642384e-01 1.81235585e-01 7.98814767e-01] [6.96642384e-01 8.18764415e-01 2.01185233e-01] [3.03357616e-01 1.81235585e-01 2.01185233e-01] [3.03357616e-01 3.18764415e-01 2.98814767e-01] [6.96642384e-01 6.81235585e-01 2.98814767e-01] [6.96642384e-01 3.18764415e-01 7.01185233e-01] [3.03357616e-01 6.81235585e-01 7.01185233e-01] [1.96642384e-01 1.81235585e-01 7.01185233e-01] [8.03357616e-01 8.18764415e-01 7.01185233e-01] [8.03357616e-01 1.81235585e-01 2.98814767e-01] [1.96642384e-01 8.18764415e-01 2.98814767e-01] [1.96642384e-01 6.81235585e-01 2.01185233e-01] [8.03357616e-01 3.18764415e-01 2.01185233e-01] [8.03357616e-01 6.81235585e-01 7.98814767e-01] [1.96642384e-01 3.18764415e-01 7.98814767e-01] [6.96642384e-01 1.81235585e-01 2.01185233e-01] [3.03357616e-01 8.18764415e-01 2.01185233e-01] [3.03357616e-01 1.81235585e-01 7.98814767e-01] [6.96642384e-01 8.18764415e-01 7.98814767e-01] [6.96642384e-01 6.81235585e-01 7.01185233e-01] [3.03357616e-01 3.18764415e-01 7.01185233e-01] [3.03357616e-01 6.81235585e-01 2.98814767e-01] [6.96642384e-01 3.18764415e-01 2.98814767e-01] [9.28244741e-01 3.75265401e-01 7.37922042e-01] [7.17552587e-02 6.24734599e-01 7.37922042e-01] [7.17552587e-02 3.75265401e-01 2.62077958e-01] [9.28244741e-01 6.24734599e-01 2.62077958e-01] [9.28244741e-01 8.75265401e-01 2.37922042e-01] [7.17552587e-02 1.24734599e-01 2.37922042e-01] [7.17552587e-02 8.75265401e-01 7.62077958e-01] [9.28244741e-01 1.24734599e-01 7.62077958e-01] [4.28244741e-01 3.75265401e-01 2.37922042e-01] [5.71755259e-01 6.24734599e-01 2.37922042e-01] [5.71755259e-01 3.75265401e-01 7.62077958e-01] [4.28244741e-01 6.24734599e-01 7.62077958e-01] [4.28244741e-01 8.75265401e-01 7.37922042e-01] [5.71755259e-01 1.24734599e-01 7.37922042e-01] [5.71755259e-01 8.75265401e-01 2.62077958e-01] [4.28244741e-01 1.24734599e-01 2.62077958e-01] [7.17552587e-02 6.24734599e-01 2.62077958e-01] [9.28244741e-01 3.75265401e-01 2.62077958e-01] [9.28244741e-01 6.24734599e-01 7.37922042e-01] [7.17552587e-02 3.75265401e-01 7.37922042e-01] [7.17552587e-02 1.24734599e-01 7.62077958e-01] [9.28244741e-01 8.75265401e-01 7.62077958e-01] [9.28244741e-01 1.24734599e-01 2.37922042e-01] [7.17552587e-02 8.75265401e-01 2.37922042e-01] [5.71755259e-01 6.24734599e-01 7.62077958e-01] [4.28244741e-01 3.75265401e-01 7.62077958e-01] [4.28244741e-01 6.24734599e-01 2.37922042e-01] [5.71755259e-01 3.75265401e-01 2.37922042e-01] [5.71755259e-01 1.24734599e-01 2.62077958e-01] [4.28244741e-01 8.75265401e-01 2.62077958e-01] [4.28244741e-01 1.24734599e-01 7.37922042e-01] [5.71755259e-01 8.75265401e-01 7.37922042e-01] [9.27260564e-01 3.53817906e-01 8.78006902e-01] [7.27394358e-02 6.46182094e-01 8.78006902e-01] [7.27394358e-02 3.53817906e-01 1.21993098e-01] [9.27260564e-01 6.46182094e-01 1.21993098e-01] [9.27260564e-01 8.53817906e-01 3.78006902e-01] [7.27394358e-02 1.46182094e-01 3.78006902e-01] [7.27394358e-02 8.53817906e-01 6.21993098e-01] [9.27260564e-01 1.46182094e-01 6.21993098e-01] [4.27260564e-01 3.53817906e-01 3.78006902e-01] [5.72739436e-01 6.46182094e-01 3.78006902e-01] [5.72739436e-01 3.53817906e-01 6.21993098e-01] [4.27260564e-01 6.46182094e-01 6.21993098e-01] [4.27260564e-01 8.53817906e-01 8.78006902e-01] [5.72739436e-01 1.46182094e-01 8.78006902e-01] [5.72739436e-01 8.53817906e-01 1.21993098e-01] [4.27260564e-01 1.46182094e-01 1.21993098e-01] [7.27394358e-02 6.46182094e-01 1.21993098e-01] [9.27260564e-01 3.53817906e-01 1.21993098e-01] [9.27260564e-01 6.46182094e-01 8.78006902e-01] [7.27394358e-02 3.53817906e-01 8.78006902e-01] [7.27394358e-02 1.46182094e-01 6.21993098e-01] [9.27260564e-01 8.53817906e-01 6.21993098e-01] [9.27260564e-01 1.46182094e-01 3.78006902e-01] [7.27394358e-02 8.53817906e-01 3.78006902e-01] [5.72739436e-01 6.46182094e-01 6.21993098e-01] [4.27260564e-01 3.53817906e-01 6.21993098e-01] [4.27260564e-01 6.46182094e-01 3.78006902e-01] [5.72739436e-01 3.53817906e-01 3.78006902e-01] [5.72739436e-01 1.46182094e-01 1.21993098e-01] [4.27260564e-01 8.53817906e-01 1.21993098e-01] [4.27260564e-01 1.46182094e-01 8.78006902e-01] [5.72739436e-01 8.53817906e-01 8.78006902e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 7.50000000e-01 2.50000000e-01] [7.50000000e-01 2.50000000e-01 2.50000000e-01] [2.43892647e-36 3.00507557e-01 9.12460649e-01] [0.00000000e+00 6.99492443e-01 9.12460649e-01] [5.33437175e-37 3.00507557e-01 8.75393513e-02] [0.00000000e+00 6.99492443e-01 8.75393513e-02] [2.45719746e-36 8.00507557e-01 4.12460649e-01] [4.91336595e-38 1.99492443e-01 4.12460649e-01] [8.03373874e-37 8.00507557e-01 5.87539351e-01] [0.00000000e+00 1.99492443e-01 5.87539351e-01] [5.00000000e-01 3.00507557e-01 4.12460649e-01] [5.00000000e-01 6.99492443e-01 4.12460649e-01] [5.00000000e-01 3.00507557e-01 5.87539351e-01] [5.00000000e-01 6.99492443e-01 5.87539351e-01] [5.00000000e-01 8.00507557e-01 9.12460649e-01] [5.00000000e-01 1.99492443e-01 9.12460649e-01] [5.00000000e-01 8.00507557e-01 8.75393513e-02] [5.00000000e-01 1.99492443e-01 8.75393513e-02] [0.00000000e+00 3.88714945e-01 6.84113513e-01] [5.12969008e-37 6.11285055e-01 6.84113513e-01] [2.48368742e-36 3.88714945e-01 3.15886487e-01] [5.34703084e-37 6.11285055e-01 3.15886487e-01] [0.00000000e+00 8.88714945e-01 1.84113513e-01] [0.00000000e+00 1.11285055e-01 1.84113513e-01] [1.59968396e-36 8.88714945e-01 8.15886487e-01] [3.48702406e-37 1.11285055e-01 8.15886487e-01] [5.00000000e-01 3.88714945e-01 1.84113513e-01] [5.00000000e-01 6.11285055e-01 1.84113513e-01] [5.00000000e-01 3.88714945e-01 8.15886487e-01] [5.00000000e-01 6.11285055e-01 8.15886487e-01] [5.00000000e-01 8.88714945e-01 6.84113513e-01] [5.00000000e-01 1.11285055e-01 6.84113513e-01] [5.00000000e-01 8.88714945e-01 3.15886487e-01] [5.00000000e-01 1.11285055e-01 3.15886487e-01] [8.74912026e-01 3.86591157e-01 8.10346626e-01] [1.25087974e-01 6.13408843e-01 8.10346626e-01] [1.25087974e-01 3.86591157e-01 1.89653374e-01] [8.74912026e-01 6.13408843e-01 1.89653374e-01] [8.74912026e-01 8.86591157e-01 3.10346626e-01] [1.25087974e-01 1.13408843e-01 3.10346626e-01] [1.25087974e-01 8.86591157e-01 6.89653374e-01] [8.74912026e-01 1.13408843e-01 6.89653374e-01] [3.74912026e-01 3.86591157e-01 3.10346626e-01] [6.25087974e-01 6.13408843e-01 3.10346626e-01] [6.25087974e-01 3.86591157e-01 6.89653374e-01] [3.74912026e-01 6.13408843e-01 6.89653374e-01] [3.74912026e-01 8.86591157e-01 8.10346626e-01] [6.25087974e-01 1.13408843e-01 8.10346626e-01] [6.25087974e-01 8.86591157e-01 1.89653374e-01] [3.74912026e-01 1.13408843e-01 1.89653374e-01] [1.25087974e-01 6.13408843e-01 1.89653374e-01] [8.74912026e-01 3.86591157e-01 1.89653374e-01] [8.74912026e-01 6.13408843e-01 8.10346626e-01] [1.25087974e-01 3.86591157e-01 8.10346626e-01] [1.25087974e-01 1.13408843e-01 6.89653374e-01] [8.74912026e-01 8.86591157e-01 6.89653374e-01] [8.74912026e-01 1.13408843e-01 3.10346626e-01] [1.25087974e-01 8.86591157e-01 3.10346626e-01] [6.25087974e-01 6.13408843e-01 6.89653374e-01] [3.74912026e-01 3.86591157e-01 6.89653374e-01] [3.74912026e-01 6.13408843e-01 3.10346626e-01] [6.25087974e-01 3.86591157e-01 3.10346626e-01] [6.25087974e-01 1.13408843e-01 1.89653374e-01] [3.74912026e-01 8.86591157e-01 1.89653374e-01] [3.74912026e-01 1.13408843e-01 8.10346626e-01] [6.25087974e-01 8.86591157e-01 8.10346626e-01]] cellpar = Cell([[17.796052440637574, 9.544065193053467e-37, 0.0], [-5.20253507562585e-38, 13.759930374923833, 0.0], [0.0, 0.0, 18.13640643241932]]) forces = [[ 1.09676641e-31 -2.09295858e-10 0.00000000e+00] [-7.91333251e-49 2.09295858e-10 0.00000000e+00] [ 1.09676641e-31 -2.09295858e-10 0.00000000e+00] [-7.91333251e-49 2.09295858e-10 0.00000000e+00] [ 7.91333251e-49 -2.09295858e-10 0.00000000e+00] [-7.91333251e-49 2.09295858e-10 0.00000000e+00] [ 7.91333251e-49 -2.09295858e-10 0.00000000e+00] [-7.91333251e-49 2.09295858e-10 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.39322420e-09] [ 0.00000000e+00 0.00000000e+00 -1.39322420e-09] [ 0.00000000e+00 0.00000000e+00 1.39322420e-09] [ 0.00000000e+00 0.00000000e+00 -1.39322420e-09] [ 0.00000000e+00 0.00000000e+00 1.39322420e-09] [ 0.00000000e+00 0.00000000e+00 -1.39322420e-09] [ 0.00000000e+00 0.00000000e+00 1.39322420e-09] [ 0.00000000e+00 0.00000000e+00 -1.39322420e-09] [-1.11540202e-46 2.95007220e-08 1.94613507e-09] [ 4.38706564e-31 -2.95007220e-08 1.94613507e-09] [-1.11540202e-46 2.95007220e-08 -1.94613507e-09] [ 1.11540202e-46 -2.95007220e-08 -1.94613507e-09] [-1.11540202e-46 2.95007220e-08 1.94613507e-09] [ 1.11540202e-46 -2.95007220e-08 1.94613507e-09] [-1.11540202e-46 2.95007220e-08 -1.94613507e-09] [ 1.11540202e-46 -2.95007220e-08 -1.94613507e-09] [-1.11540202e-46 2.95007220e-08 1.94613507e-09] [ 1.11540202e-46 -2.95007220e-08 1.94613507e-09] [-1.11540202e-46 2.95007220e-08 -1.94613507e-09] [ 1.11540202e-46 -2.95007220e-08 -1.94613507e-09] [-1.11540202e-46 2.95007220e-08 1.94613507e-09] [ 4.38706564e-31 -2.95007220e-08 1.94613507e-09] [-1.11540202e-46 2.95007220e-08 -1.94613507e-09] [ 1.11540202e-46 -2.95007220e-08 -1.94613507e-09] [ 7.32973290e-10 3.93095316e-47 1.32708959e-13] [-7.32973290e-10 -3.93095316e-47 1.32708959e-13] [-7.32973290e-10 -3.93095316e-47 -1.32708959e-13] [ 7.32973290e-10 3.93095316e-47 -1.32708959e-13] [ 7.32973290e-10 3.93095316e-47 1.32708959e-13] [-7.32973290e-10 -3.93095316e-47 1.32708959e-13] [-7.32973290e-10 -3.93095316e-47 -1.32708959e-13] [ 7.32973290e-10 3.93095316e-47 -1.32708959e-13] [ 7.32973290e-10 3.93095316e-47 1.32708959e-13] [-7.32973290e-10 -3.93095316e-47 1.32708959e-13] [-7.32973290e-10 -3.93095316e-47 -1.32708959e-13] [ 7.32973290e-10 3.93095316e-47 -1.32708959e-13] [ 7.32973290e-10 3.93095316e-47 1.32708959e-13] [-7.32973290e-10 -3.93095316e-47 1.32708959e-13] [-7.32973290e-10 -3.93095316e-47 -1.32708959e-13] [ 7.32973290e-10 3.93095316e-47 -1.32708959e-13] [ 6.53303039e-09 -6.87311372e-09 -9.40862540e-09] [-6.53303039e-09 6.87311372e-09 -9.40862540e-09] [-6.53303039e-09 -6.87311372e-09 9.40862540e-09] [ 6.53303039e-09 6.87311372e-09 9.40862540e-09] [ 6.53303039e-09 -6.87311372e-09 -9.40862540e-09] [-6.53303039e-09 6.87311372e-09 -9.40862540e-09] [-6.53303039e-09 -6.87311372e-09 9.40862540e-09] [ 6.53303039e-09 6.87311372e-09 9.40862540e-09] [ 6.53303039e-09 -6.87311372e-09 -9.40862540e-09] [-6.53303039e-09 6.87311372e-09 -9.40862540e-09] [-6.53303039e-09 -6.87311372e-09 9.40862540e-09] [ 6.53303039e-09 6.87311372e-09 9.40862540e-09] [ 6.53303039e-09 -6.87311372e-09 -9.40862540e-09] [-6.53303039e-09 6.87311372e-09 -9.40862540e-09] [-6.53303039e-09 -6.87311372e-09 9.40862540e-09] [ 6.53303039e-09 6.87311372e-09 9.40862540e-09] [-6.53303039e-09 6.87311372e-09 9.40862540e-09] [ 6.53303039e-09 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1.97083737e-08] [-1.52437460e-09 -7.42317281e-08 -1.97083737e-08] [ 1.52437460e-09 7.42317281e-08 -1.97083737e-08] [ 1.52437460e-09 -7.42317281e-08 1.97083737e-08] [-1.52437460e-09 7.42317281e-08 1.97083737e-08] [-1.52437460e-09 -7.42317281e-08 -1.97083737e-08] [ 1.52437460e-09 7.42317281e-08 -1.97083737e-08] [ 1.52437460e-09 -7.42317281e-08 1.97083737e-08] [-1.52437460e-09 7.42317281e-08 1.97083737e-08] [-1.52437460e-09 -7.42317281e-08 -1.97083737e-08] [ 1.52437460e-09 7.42317281e-08 -1.97083737e-08] [-1.52437460e-09 7.42317281e-08 -1.97083737e-08] [ 1.52437460e-09 -7.42317281e-08 -1.97083737e-08] [ 1.52437460e-09 7.42317281e-08 1.97083737e-08] [-1.52437460e-09 -7.42317281e-08 1.97083737e-08] [-1.52437460e-09 7.42317281e-08 -1.97083737e-08] [ 1.52437460e-09 -7.42317281e-08 -1.97083737e-08] [ 1.52437460e-09 7.42317281e-08 1.97083737e-08] [-1.52437460e-09 -7.42317281e-08 1.97083737e-08] [-1.52437460e-09 7.42317281e-08 -1.97083737e-08] [ 1.52437460e-09 -7.42317281e-08 -1.97083737e-08] [ 1.52437460e-09 7.42317281e-08 1.97083737e-08] [-1.52437460e-09 -7.42317281e-08 1.97083737e-08] [-1.52437460e-09 7.42317281e-08 -1.97083737e-08] [ 1.52437460e-09 -7.42317281e-08 -1.97083737e-08] [ 1.52437460e-09 7.42317281e-08 1.97083737e-08] [-1.52437460e-09 -7.42317281e-08 1.97083737e-08] [-1.37272260e-08 2.06606335e-08 -1.88629325e-08] [ 1.37272260e-08 -2.06606335e-08 -1.88629325e-08] [ 1.37272260e-08 2.06606335e-08 1.88629325e-08] [-1.37272260e-08 -2.06606335e-08 1.88629325e-08] [-1.37272260e-08 2.06606335e-08 -1.88629325e-08] [ 1.37272260e-08 -2.06606335e-08 -1.88629325e-08] [ 1.37272260e-08 2.06606335e-08 1.88629325e-08] [-1.37272260e-08 -2.06606335e-08 1.88629325e-08] [-1.37272260e-08 2.06606335e-08 -1.88629325e-08] [ 1.37272260e-08 -2.06606335e-08 -1.88629325e-08] [ 1.37272260e-08 2.06606335e-08 1.88629325e-08] [-1.37272260e-08 -2.06606335e-08 1.88629325e-08] [-1.37272260e-08 2.06606335e-08 -1.88629325e-08] [ 1.37272260e-08 -2.06606335e-08 -1.88629325e-08] [ 1.37272260e-08 2.06606335e-08 1.88629325e-08] [-1.37272260e-08 -2.06606335e-08 1.88629325e-08] [ 1.37272260e-08 -2.06606335e-08 1.88629325e-08] [-1.37272260e-08 2.06606335e-08 1.88629325e-08] [-1.37272260e-08 -2.06606335e-08 -1.88629325e-08] [ 1.37272260e-08 2.06606335e-08 -1.88629325e-08] [ 1.37272260e-08 -2.06606335e-08 1.88629325e-08] [-1.37272260e-08 2.06606335e-08 1.88629325e-08] [-1.37272260e-08 -2.06606335e-08 -1.88629325e-08] [ 1.37272260e-08 2.06606335e-08 -1.88629325e-08] [ 1.37272260e-08 -2.06606335e-08 1.88629325e-08] [-1.37272260e-08 2.06606335e-08 1.88629325e-08] [-1.37272260e-08 -2.06606335e-08 -1.88629325e-08] [ 1.37272260e-08 2.06606335e-08 -1.88629325e-08] [ 1.37272260e-08 -2.06606335e-08 1.88629325e-08] [-1.37272260e-08 2.06606335e-08 1.88629325e-08] [-1.37272260e-08 -2.06606335e-08 -1.88629325e-08] [ 1.37272260e-08 2.06606335e-08 -1.88629325e-08] [ 3.68513513e-29 2.17093423e-29 -7.15355100e-30] [ 7.01930502e-29 -1.35683389e-29 -2.86142040e-29] [ 1.26347490e-28 1.08546711e-29 1.43071020e-29] [-4.91351351e-29 -1.08546711e-29 1.43071020e-29] [ 4.21158301e-29 1.05833044e-28 -3.57677550e-29] [ 2.28127413e-29 9.76920402e-29 -1.43071020e-29] [-1.28102317e-28 -8.14100335e-30 -1.43071020e-29] [ 5.61544402e-29 3.25640134e-29 -1.43071020e-29] [-2.01913057e-46 5.34029961e-08 -1.77571238e-07] [ 2.01913057e-46 -5.34029961e-08 -1.77571238e-07] [-2.01913057e-46 5.34029961e-08 1.77571238e-07] [ 2.01913057e-46 -5.34029961e-08 1.77571238e-07] [-2.01913057e-46 5.34029961e-08 -1.77571238e-07] [ 2.01913057e-46 -5.34029961e-08 -1.77571238e-07] [-2.01913057e-46 5.34029961e-08 1.77571238e-07] [ 2.01913057e-46 -5.34029961e-08 1.77571238e-07] [-2.01913057e-46 5.34029961e-08 -1.77571238e-07] [ 2.01913057e-46 -5.34029961e-08 -1.77571238e-07] [-2.01913057e-46 5.34029961e-08 1.77571238e-07] [ 2.01913057e-46 -5.34029961e-08 1.77571238e-07] [-2.01913057e-46 5.34029961e-08 -1.77571238e-07] [ 2.01913057e-46 -5.34029961e-08 -1.77571238e-07] [-2.01913057e-46 5.34029961e-08 1.77571238e-07] [ 2.01913057e-46 -5.34029961e-08 1.77571238e-07] [ 1.37499754e-46 -3.63666370e-08 1.64730632e-07] [-1.37499754e-46 3.63666370e-08 1.64730632e-07] [ 1.37499754e-46 -3.63666370e-08 -1.64730632e-07] [-1.37499754e-46 3.63666370e-08 -1.64730632e-07] [ 1.37499754e-46 -3.63666370e-08 1.64730632e-07] [-1.37499754e-46 3.63666370e-08 1.64730632e-07] [ 1.37499754e-46 -3.63666370e-08 -1.64730632e-07] [-1.37499754e-46 3.63666370e-08 -1.64730632e-07] [ 1.37499754e-46 -3.63666370e-08 1.64730632e-07] [-1.37499754e-46 3.63666370e-08 1.64730632e-07] [ 1.37499754e-46 -3.63666370e-08 -1.64730632e-07] [-1.37499754e-46 3.63666370e-08 -1.64730632e-07] [ 1.37499754e-46 -3.63666370e-08 1.64730632e-07] [-1.37499754e-46 3.63666370e-08 1.64730632e-07] [ 1.37499754e-46 -3.63666370e-08 -1.64730632e-07] [-1.37499754e-46 3.63666370e-08 -1.64730632e-07] [-3.87007930e-07 -3.26933148e-07 -1.89332908e-07] [ 3.87007930e-07 3.26933148e-07 -1.89332908e-07] [ 3.87007930e-07 -3.26933148e-07 1.89332908e-07] [-3.87007930e-07 3.26933148e-07 1.89332908e-07] [-3.87007930e-07 -3.26933148e-07 -1.89332908e-07] [ 3.87007930e-07 3.26933148e-07 -1.89332908e-07] [ 3.87007930e-07 -3.26933148e-07 1.89332908e-07] [-3.87007930e-07 3.26933148e-07 1.89332908e-07] [-3.87007930e-07 -3.26933148e-07 -1.89332908e-07] [ 3.87007930e-07 3.26933148e-07 -1.89332908e-07] [ 3.87007930e-07 -3.26933148e-07 1.89332908e-07] [-3.87007930e-07 3.26933148e-07 1.89332908e-07] [-3.87007930e-07 -3.26933148e-07 -1.89332908e-07] [ 3.87007930e-07 3.26933148e-07 -1.89332908e-07] [ 3.87007930e-07 -3.26933148e-07 1.89332908e-07] [-3.87007930e-07 3.26933148e-07 1.89332908e-07] [ 3.87007930e-07 3.26933148e-07 1.89332908e-07] [-3.87007930e-07 -3.26933148e-07 1.89332908e-07] [-3.87007930e-07 3.26933148e-07 -1.89332908e-07] [ 3.87007930e-07 -3.26933148e-07 -1.89332908e-07] [ 3.87007930e-07 3.26933148e-07 1.89332908e-07] [-3.87007930e-07 -3.26933148e-07 1.89332908e-07] [-3.87007930e-07 3.26933148e-07 -1.89332908e-07] [ 3.87007930e-07 -3.26933148e-07 -1.89332908e-07] [ 3.87007930e-07 3.26933148e-07 1.89332908e-07] [-3.87007930e-07 -3.26933148e-07 1.89332908e-07] [-3.87007930e-07 3.26933148e-07 -1.89332908e-07] [ 3.87007930e-07 -3.26933148e-07 -1.89332908e-07] [ 3.87007930e-07 3.26933148e-07 1.89332908e-07] [-3.87007930e-07 -3.26933148e-07 1.89332908e-07] [-3.87007930e-07 3.26933148e-07 -1.89332908e-07] [ 3.87007930e-07 -3.26933148e-07 -1.89332908e-07]] stress = [6.22192846e-09 5.89164167e-09 4.49301022e-09 0.00000000e+00 0.00000000e+00 1.61075884e-33] energy per atom = -19.276909037928768 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0