element(s): ['Si'] AFLOW prototype label: A_mC164_15_e20f Parameter names: ['a', 'b/a', 'c/a', 'beta', 'y1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['25.5153', '0.59626185', '0.38807304', '85.6678', '0.5018589', '0.68877825', '0.96352682', '0.39618647', '0.85290647', '0.066655781', '0.19885487', '0.85161909', '0.93394953', '0.32543919', '0.90872025', '0.95961914', '0.50215183', '0.39194115', '0.3160815', '0.19689941', '0.45947298', '0.2475486', '0.3176402', '0.2268061', '0.13306616', '0.35835738', '0.74433636', '0.76915545', '0.24636872', '0.32359862', '0.22635453', '0.12155393', '0.30617288', '0.092719903', '0.23378721', '0.44585184', '0.099109512', '0.39907312', '0.76670646', '0.88208696', '0.40378522', '0.46313645', '0.74291846', '0.18744694', '0.52487726', '0.65186183', '0.50503416', '0.39433722', '0.67549036', '0.32193311', '0.43434955', '0.610825', '0.50714113', '0.55091352', '0.89443078', '0.35966828', '0.33102234', '0.78459971', '0.3807846', '0.36635198', '0.90960313', '0.26587063', '0.36114403', '0.039715317', '0.39377295'] model name: EDIP_LAMMPS_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0.4981411 0.25 ] [0.31122175 0.96352682 0.60381353] [0.14709353 0.06665578 0.80114513] [0.14838091 0.93394953 0.67456081] [0.09127975 0.95961914 0.49784817] [0.60805885 0.3160815 0.80310059] [0.54052702 0.2475486 0.6823598 ] [0.7731939 0.13306616 0.64164262] [0.25566364 0.76915545 0.75363128] [0.67640138 0.22635453 0.87844607] [0.69382712 0.0927199 0.76621279] [0.55414816 0.09910951 0.60092688] [0.23329354 0.88208696 0.59621478] [0.53686355 0.74291846 0.81255306] [0.47512274 0.65186183 0.49496584] [0.60566278 0.67549036 0.67806689] [0.56565045 0.610825 0.49285887] [0.44908648 0.89443078 0.64033172] [0.66897766 0.78459971 0.6192154 ] [0.63364802 0.90960313 0.73412937] [0.63885597 0.03971532 0.60622705]] spacegroup = 15 cell = [[25.5153, 0, 0], [0, 15.2138, 0], [0.74797334784504, 0, 9.8735089563394]] ========================================= Step Time Energy fmax BFGS: 0 09:36:39 -742.225281 1.056083 BFGS: 1 09:36:40 -742.725622 0.703400 BFGS: 2 09:36:40 -743.157444 0.414733 BFGS: 3 09:36:41 -743.269547 0.431378 BFGS: 4 09:36:41 -743.535828 0.241151 BFGS: 5 09:36:42 -743.598228 0.209090 BFGS: 6 09:36:42 -743.658296 0.196096 BFGS: 7 09:36:43 -743.700404 0.185064 BFGS: 8 09:36:43 -743.732707 0.176715 BFGS: 9 09:36:43 -743.748572 0.174236 BFGS: 10 09:36:44 -743.761552 0.173113 BFGS: 11 09:36:44 -743.775066 0.171147 BFGS: 12 09:36:45 -743.788011 0.167318 BFGS: 13 09:36:46 -743.799019 0.162043 BFGS: 14 09:36:46 -743.809148 0.156036 BFGS: 15 09:36:47 -743.818994 0.150281 BFGS: 16 09:36:47 -743.827628 0.146448 BFGS: 17 09:36:48 -743.833991 0.145427 BFGS: 18 09:36:48 -743.838367 0.146169 BFGS: 19 09:36:49 -743.841655 0.147094 BFGS: 20 09:36:49 -743.844604 0.147136 BFGS: 21 09:36:50 -743.848079 0.145637 BFGS: 22 09:36:50 -743.853393 0.141563 BFGS: 23 09:36:51 -743.860327 0.135443 BFGS: 24 09:36:52 -743.867581 0.129216 BFGS: 25 09:36:52 -743.875023 0.123123 BFGS: 26 09:36:52 -743.882348 0.117225 BFGS: 27 09:36:53 -743.889296 0.111518 BFGS: 28 09:36:53 -743.895694 0.105978 BFGS: 29 09:36:53 -743.901463 0.100580 BFGS: 30 09:36:53 -743.906597 0.095301 BFGS: 31 09:36:53 -743.911165 0.097878 BFGS: 32 09:36:54 -743.915297 0.102833 BFGS: 33 09:36:54 -743.919188 0.107408 BFGS: 34 09:36:54 -743.923077 0.111471 BFGS: 35 09:36:55 -743.927212 0.114857 BFGS: 36 09:36:55 -743.931799 0.117376 BFGS: 37 09:36:56 -743.936943 0.118818 BFGS: 38 09:36:56 -743.942616 0.118969 BFGS: 39 09:36:57 -743.948669 0.117677 BFGS: 40 09:36:58 -743.954971 0.115054 BFGS: 41 09:36:59 -743.961633 0.111964 BFGS: 42 09:36:59 -743.968529 0.110103 BFGS: 43 09:37:00 -743.974876 0.110082 BFGS: 44 09:37:00 -743.980404 0.111113 BFGS: 45 09:37:01 -743.985332 0.112500 BFGS: 46 09:37:01 -743.989886 0.113913 BFGS: 47 09:37:01 -743.994205 0.115213 BFGS: 48 09:37:02 -743.998357 0.116338 BFGS: 49 09:37:02 -744.002374 0.117260 BFGS: 50 09:37:02 -744.006264 0.117962 BFGS: 51 09:37:03 -744.010029 0.118435 BFGS: 52 09:37:03 -744.013670 0.118671 BFGS: 53 09:37:04 -744.017193 0.118659 BFGS: 54 09:37:04 -744.020614 0.118386 BFGS: 55 09:37:04 -744.023961 0.117831 BFGS: 56 09:37:05 -744.027279 0.116966 BFGS: 57 09:37:05 -744.030630 0.115750 BFGS: 58 09:37:06 -744.034105 0.114122 BFGS: 59 09:37:07 -744.037826 0.111995 BFGS: 60 09:37:07 -744.041967 0.109236 BFGS: 61 09:37:08 -744.046570 0.105838 BFGS: 62 09:37:08 -744.051733 0.101896 BFGS: 63 09:37:08 -744.057756 0.097451 BFGS: 64 09:37:09 -744.064751 0.092743 BFGS: 65 09:37:09 -744.072407 0.088317 BFGS: 66 09:37:09 -744.079935 0.084724 BFGS: 67 09:37:09 -744.086647 0.081897 BFGS: 68 09:37:09 -744.092353 0.079476 BFGS: 69 09:37:10 -744.097073 0.077255 BFGS: 70 09:37:10 -744.101139 0.075034 BFGS: 71 09:37:11 -744.104695 0.072719 BFGS: 72 09:37:12 -744.107812 0.070259 BFGS: 73 09:37:12 -744.110530 0.067616 BFGS: 74 09:37:13 -744.112866 0.064760 BFGS: 75 09:37:13 -744.114816 0.061729 BFGS: 76 09:37:14 -744.116489 0.058485 BFGS: 77 09:37:14 -744.118065 0.054954 BFGS: 78 09:37:14 -744.119849 0.050989 BFGS: 79 09:37:15 -744.122199 0.046681 BFGS: 80 09:37:15 -744.124814 0.043819 BFGS: 81 09:37:16 -744.127133 0.043363 BFGS: 82 09:37:16 -744.128513 0.044432 BFGS: 83 09:37:17 -744.129608 0.045070 BFGS: 84 09:37:17 -744.130840 0.044173 BFGS: 85 09:37:18 -744.132144 0.041089 BFGS: 86 09:37:18 -744.133233 0.037334 BFGS: 87 09:37:19 -744.134420 0.032888 BFGS: 88 09:37:19 -744.135845 0.029026 BFGS: 89 09:37:20 -744.137647 0.024023 BFGS: 90 09:37:20 -744.138964 0.022053 BFGS: 91 09:37:21 -744.140056 0.018843 BFGS: 92 09:37:21 -744.140614 0.017687 BFGS: 93 09:37:22 -744.141082 0.018601 BFGS: 94 09:37:22 -744.141609 0.018360 BFGS: 95 09:37:23 -744.142248 0.021110 BFGS: 96 09:37:23 -744.142855 0.021123 BFGS: 97 09:37:24 -744.143395 0.017284 BFGS: 98 09:37:24 -744.143937 0.015536 BFGS: 99 09:37:25 -744.151122 0.234812 BFGS: 100 09:37:25 -744.237593 1.128777 BFGS: 101 09:37:26 -744.508421 1.671473 BFGS: 102 09:37:26 -744.356291 3.139051 BFGS: 103 09:37:27 -744.685139 1.716779 BFGS: 104 09:37:27 -744.793219 0.982761 BFGS: 105 09:37:28 -744.841833 0.581325 BFGS: 106 09:37:28 -744.870913 0.311381 BFGS: 107 09:37:29 -744.890312 0.120346 BFGS: 108 09:37:29 -744.901838 0.072293 BFGS: 109 09:37:30 -744.908926 0.110763 BFGS: 110 09:37:30 -744.913475 0.132327 BFGS: 111 09:37:31 -744.916133 0.094969 BFGS: 112 09:37:31 -744.917849 0.029652 BFGS: 113 09:37:32 -744.918974 0.034289 BFGS: 114 09:37:32 -744.919742 0.058960 BFGS: 115 09:37:33 -744.920674 0.057653 BFGS: 116 09:37:33 -744.921632 0.032817 BFGS: 117 09:37:34 -744.922453 0.019087 BFGS: 118 09:37:34 -744.923110 0.044222 BFGS: 119 09:37:35 -744.923749 0.051080 BFGS: 120 09:37:35 -744.924360 0.034199 BFGS: 121 09:37:36 -744.924822 0.021956 BFGS: 122 09:37:36 -744.925145 0.022575 BFGS: 123 09:37:36 -744.925455 0.027335 BFGS: 124 09:37:37 -744.925848 0.025554 BFGS: 125 09:37:37 -744.926319 0.019716 BFGS: 126 09:37:38 -744.926776 0.018808 BFGS: 127 09:37:38 -744.927114 0.025841 BFGS: 128 09:37:39 -744.927302 0.018868 BFGS: 129 09:37:40 -744.927389 0.019782 BFGS: 130 09:37:40 -744.927439 0.020293 BFGS: 131 09:37:41 -744.927495 0.020549 BFGS: 132 09:37:41 -744.927597 0.020599 BFGS: 133 09:37:42 -744.927785 0.020306 BFGS: 134 09:37:42 -744.928079 0.019523 BFGS: 135 09:37:43 -744.928416 0.018440 BFGS: 136 09:37:43 -744.928685 0.017741 BFGS: 137 09:37:43 -744.928873 0.017743 BFGS: 138 09:37:43 -744.929053 0.018159 BFGS: 139 09:37:44 -744.929288 0.018748 BFGS: 140 09:37:44 -744.929603 0.019149 BFGS: 141 09:37:44 -744.929986 0.021810 BFGS: 142 09:37:45 -744.930380 0.019368 BFGS: 143 09:37:46 -744.930712 0.016521 BFGS: 144 09:37:46 -744.930947 0.015366 BFGS: 145 09:37:47 -744.931117 0.014787 BFGS: 146 09:37:47 -744.931279 0.014656 BFGS: 147 09:37:47 -744.931480 0.014793 BFGS: 148 09:37:48 -744.931737 0.014978 BFGS: 149 09:37:48 -744.932027 0.016255 BFGS: 150 09:37:48 -744.932294 0.017206 BFGS: 151 09:37:49 -744.932491 0.013291 BFGS: 152 09:37:49 -744.932624 0.012318 BFGS: 153 09:37:50 -744.932721 0.011518 BFGS: 154 09:37:50 -744.932811 0.010850 BFGS: 155 09:37:51 -744.932916 0.010197 BFGS: 156 09:37:52 -744.933052 0.011167 BFGS: 157 09:37:52 -744.933226 0.011856 BFGS: 158 09:37:52 -744.933420 0.015602 BFGS: 159 09:37:53 -744.933597 0.012905 BFGS: 160 09:37:53 -744.933733 0.007994 BFGS: 161 09:37:53 -744.933836 0.007100 BFGS: 162 09:37:54 -744.933928 0.008734 BFGS: 163 09:37:54 -744.934017 0.008659 BFGS: 164 09:37:55 -744.934111 0.006819 BFGS: 165 09:37:55 -744.934215 0.007234 BFGS: 166 09:37:56 -744.934330 0.012583 BFGS: 167 09:37:56 -744.934436 0.013060 BFGS: 168 09:37:56 -744.934504 0.007696 BFGS: 169 09:37:56 -744.934533 0.003909 BFGS: 170 09:37:57 -744.934548 0.003986 BFGS: 171 09:37:57 -744.934564 0.004512 BFGS: 172 09:37:57 -744.934588 0.005012 BFGS: 173 09:37:57 -744.934620 0.004874 BFGS: 174 09:37:58 -744.934651 0.004254 BFGS: 175 09:37:58 -744.934669 0.003221 BFGS: 176 09:37:58 -744.934677 0.002054 BFGS: 177 09:37:59 -744.934681 0.001416 BFGS: 178 09:37:59 -744.934684 0.001392 BFGS: 179 09:37:59 -744.934688 0.002305 BFGS: 180 09:38:00 -744.934693 0.002638 BFGS: 181 09:38:00 -744.934700 0.002051 BFGS: 182 09:38:01 -744.934706 0.001435 BFGS: 183 09:38:01 -744.934710 0.001123 BFGS: 184 09:38:01 -744.934711 0.000964 BFGS: 185 09:38:02 -744.934712 0.000936 BFGS: 186 09:38:02 -744.934713 0.000925 BFGS: 187 09:38:03 -744.934714 0.001095 BFGS: 188 09:38:03 -744.934715 0.001321 BFGS: 189 09:38:03 -744.934716 0.001073 BFGS: 190 09:38:04 -744.934717 0.000941 BFGS: 191 09:38:04 -744.934718 0.000922 BFGS: 192 09:38:05 -744.934719 0.000905 BFGS: 193 09:38:05 -744.934719 0.000890 BFGS: 194 09:38:06 -744.934720 0.000877 BFGS: 195 09:38:07 -744.934721 0.000995 BFGS: 196 09:38:07 -744.934722 0.001104 BFGS: 197 09:38:08 -744.934723 0.000869 BFGS: 198 09:38:08 -744.934724 0.000860 BFGS: 199 09:38:08 -744.934724 0.000843 BFGS: 200 09:38:09 -744.934725 0.000818 BFGS: 201 09:38:09 -744.934725 0.000783 BFGS: 202 09:38:09 -744.934726 0.000733 BFGS: 203 09:38:10 -744.934727 0.000700 BFGS: 204 09:38:10 -744.934727 0.000700 BFGS: 205 09:38:10 -744.934727 0.000716 BFGS: 206 09:38:11 -744.934727 0.000729 BFGS: 207 09:38:11 -744.934728 0.000736 BFGS: 208 09:38:11 -744.934728 0.000730 BFGS: 209 09:38:12 -744.934729 0.000952 BFGS: 210 09:38:12 -744.934730 0.001182 BFGS: 211 09:38:13 -744.934731 0.000987 BFGS: 212 09:38:13 -744.934731 0.000494 BFGS: 213 09:38:14 -744.934732 0.000488 BFGS: 214 09:38:14 -744.934732 0.000492 BFGS: 215 09:38:15 -744.934732 0.000499 BFGS: 216 09:38:15 -744.934732 0.000550 BFGS: 217 09:38:16 -744.934733 0.000742 BFGS: 218 09:38:16 -744.934734 0.000964 BFGS: 219 09:38:17 -744.934736 0.001218 BFGS: 220 09:38:18 -744.934738 0.001035 BFGS: 221 09:38:18 -744.934739 0.000534 BFGS: 222 09:38:19 -744.934739 0.000507 BFGS: 223 09:38:19 -744.934740 0.000566 BFGS: 224 09:38:20 -744.934740 0.000980 BFGS: 225 09:38:21 -744.934742 0.001358 BFGS: 226 09:38:21 -744.934743 0.001352 BFGS: 227 09:38:21 -744.934745 0.000848 BFGS: 228 09:38:22 -744.934745 0.000392 BFGS: 229 09:38:22 -744.934745 0.000320 BFGS: 230 09:38:22 -744.934745 0.000238 BFGS: 231 09:38:23 -744.934746 0.000323 BFGS: 232 09:38:23 -744.934746 0.000395 BFGS: 233 09:38:24 -744.934746 0.000336 BFGS: 234 09:38:25 -744.934746 0.000205 BFGS: 235 09:38:25 -744.934746 0.000078 BFGS: 236 09:38:26 -744.934746 0.000032 BFGS: 237 09:38:27 -744.934746 0.000014 BFGS: 238 09:38:28 -744.934746 0.000008 BFGS: 239 09:38:28 -744.934746 0.000004 BFGS: 240 09:38:29 -744.934746 0.000003 BFGS: 241 09:38:29 -744.934746 0.000004 BFGS: 242 09:38:30 -744.934746 0.000004 BFGS: 243 09:38:30 -744.934746 0.000004 BFGS: 244 09:38:31 -744.934746 0.000002 BFGS: 245 09:38:31 -744.934746 0.000001 BFGS: 246 09:38:31 -744.934746 0.000000 BFGS: 247 09:38:32 -744.934746 0.000000 BFGS: 248 09:38:33 -744.934746 0.000000 BFGS: 249 09:38:34 -744.934746 0.000000 BFGS: 250 09:38:35 -744.934746 0.000000 BFGS: 251 09:38:35 -744.934746 0.000000 BFGS: 252 09:38:35 -744.934746 0.000000 Minimization converged after 252 steps. Maximum force component: 5.918818804864778e-09 eV/Angstrom Maximum stress component: 2.3456435156206773e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['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', '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', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[4.44994191e-17 4.98578568e-01 2.50000000e-01] [5.00000000e-01 9.98578568e-01 2.50000000e-01] [7.16307221e-17 5.01421432e-01 7.50000000e-01] [5.00000000e-01 1.42143167e-03 7.50000000e-01] [3.07436938e-01 9.66254218e-01 5.94324702e-01] [6.92563062e-01 9.66254218e-01 9.05675298e-01] [8.07436938e-01 4.66254218e-01 5.94324702e-01] [1.92563062e-01 4.66254218e-01 9.05675298e-01] [6.92563062e-01 3.37457818e-02 4.05675298e-01] [3.07436938e-01 3.37457818e-02 9.43247018e-02] [1.92563062e-01 5.33745782e-01 4.05675298e-01] [8.07436938e-01 5.33745782e-01 9.43247018e-02] [1.43123580e-01 6.53827728e-02 8.01933834e-01] [8.56876420e-01 6.53827728e-02 6.98066166e-01] [6.43123580e-01 5.65382773e-01 8.01933834e-01] [3.56876420e-01 5.65382773e-01 6.98066166e-01] [8.56876420e-01 9.34617227e-01 1.98066166e-01] [1.43123580e-01 9.34617227e-01 3.01933834e-01] [3.56876420e-01 4.34617227e-01 1.98066166e-01] [6.43123580e-01 4.34617227e-01 3.01933834e-01] [1.44954112e-01 9.32143270e-01 6.74803151e-01] [8.55045888e-01 9.32143270e-01 8.25196849e-01] [6.44954112e-01 4.32143270e-01 6.74803151e-01] [3.55045888e-01 4.32143270e-01 8.25196849e-01] [8.55045888e-01 6.78567295e-02 3.25196849e-01] [1.44954112e-01 6.78567295e-02 1.74803151e-01] [3.55045888e-01 5.67856730e-01 3.25196849e-01] [6.44954112e-01 5.67856730e-01 1.74803151e-01] [9.00073115e-02 9.57645354e-01 4.96488668e-01] [9.09992688e-01 9.57645354e-01 3.51133195e-03] [5.90007312e-01 4.57645354e-01 4.96488668e-01] [4.09992688e-01 4.57645354e-01 3.51133195e-03] [9.09992688e-01 4.23546458e-02 5.03511332e-01] [9.00073115e-02 4.23546458e-02 9.96488668e-01] [4.09992688e-01 5.42354646e-01 5.03511332e-01] [5.90007312e-01 5.42354646e-01 9.96488668e-01] [6.05313613e-01 3.17711259e-01 8.05609303e-01] [3.94686387e-01 3.17711259e-01 6.94390697e-01] [1.05313613e-01 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Cell([[25.575255005643307, -3.477225062293281e-19, -0.23555624658554758], [-2.113850634448133e-19, 14.94875109870816, -1.4518664822824927e-18], [0.6592076791287549, -9.521637053267648e-19, 10.039115714350705]]) forces = [[ 5.53921444e-29 -3.99330063e-09 3.85869895e-28] [ 5.64353668e-29 -3.99330063e-09 3.87346085e-28] [-5.64678682e-29 3.99330063e-09 -3.87841051e-28] [-5.64678682e-29 3.99330063e-09 -3.87841051e-28] [ 2.71275568e-09 1.77503505e-09 2.04998047e-09] [-2.71275568e-09 1.77503505e-09 -2.04998047e-09] [ 2.71275568e-09 1.77503505e-09 2.04998047e-09] [-2.71275568e-09 1.77503505e-09 -2.04998047e-09] [-2.71275568e-09 -1.77503505e-09 -2.04998047e-09] [ 2.71275568e-09 -1.77503505e-09 2.04998047e-09] [-2.71275568e-09 -1.77503505e-09 -2.04998047e-09] [ 2.71275568e-09 -1.77503505e-09 2.04998047e-09] [ 4.39147105e-09 -3.81795240e-10 8.27598620e-10] [-4.39147105e-09 -3.81795240e-10 -8.27598620e-10] [ 4.39147105e-09 -3.81795240e-10 8.27598620e-10] [-4.39147105e-09 -3.81795240e-10 -8.27598620e-10] [-4.39147105e-09 3.81795240e-10 -8.27598620e-10] [ 4.39147105e-09 3.81795240e-10 8.27598620e-10] [-4.39147105e-09 3.81795240e-10 -8.27598620e-10] [ 4.39147105e-09 3.81795240e-10 8.27598620e-10] [-3.12665871e-09 -6.22143409e-10 2.02074816e-09] [ 3.12665871e-09 -6.22143409e-10 -2.02074816e-09] [-3.12665871e-09 -6.22143409e-10 2.02074816e-09] [ 3.12665871e-09 -6.22143409e-10 -2.02074816e-09] [ 3.12665871e-09 6.22143409e-10 -2.02074816e-09] [-3.12665871e-09 6.22143409e-10 2.02074816e-09] [ 3.12665871e-09 6.22143409e-10 -2.02074816e-09] [-3.12665871e-09 6.22143409e-10 2.02074816e-09] [-1.63224502e-10 3.37868833e-10 4.90740241e-10] [ 1.63224502e-10 3.37868833e-10 -4.90740241e-10] [-1.63224502e-10 3.37868833e-10 4.90740241e-10] [ 1.63224502e-10 3.37868833e-10 -4.90740241e-10] [ 1.63224502e-10 -3.37868833e-10 -4.90740241e-10] [-1.63224502e-10 -3.37868833e-10 4.90740241e-10] [ 1.63224502e-10 -3.37868833e-10 -4.90740241e-10] [-1.63224502e-10 -3.37868833e-10 4.90740241e-10] [ 2.65667919e-09 2.97713529e-09 2.11303736e-10] [-2.65667919e-09 2.97713529e-09 -2.11303736e-10] [ 2.65667919e-09 2.97713529e-09 2.11303736e-10] [-2.65667919e-09 2.97713529e-09 -2.11303736e-10] [-2.65667919e-09 -2.97713529e-09 -2.11303736e-10] [ 2.65667919e-09 -2.97713529e-09 2.11303736e-10] [-2.65667919e-09 -2.97713529e-09 -2.11303736e-10] [ 2.65667919e-09 -2.97713529e-09 2.11303736e-10] [-7.37506826e-10 -2.51731157e-09 -1.97661758e-09] [ 7.37506826e-10 -2.51731157e-09 1.97661758e-09] [-7.37506826e-10 -2.51731157e-09 -1.97661758e-09] [ 7.37506826e-10 -2.51731157e-09 1.97661758e-09] [ 7.37506826e-10 2.51731157e-09 1.97661758e-09] [-7.37506826e-10 2.51731157e-09 -1.97661758e-09] [ 7.37506826e-10 2.51731157e-09 1.97661758e-09] [-7.37506826e-10 2.51731157e-09 -1.97661758e-09] [ 4.48810462e-09 -7.28200515e-10 -5.05297328e-10] [-4.48810462e-09 -7.28200515e-10 5.05297328e-10] [ 4.48810462e-09 -7.28200515e-10 -5.05297328e-10] [-4.48810462e-09 -7.28200515e-10 5.05297328e-10] [-4.48810462e-09 7.28200515e-10 5.05297328e-10] [ 4.48810462e-09 7.28200515e-10 -5.05297328e-10] [-4.48810462e-09 7.28200515e-10 5.05297328e-10] [ 4.48810462e-09 7.28200515e-10 -5.05297328e-10] [ 3.11124609e-09 5.00917217e-10 5.97955230e-10] [-3.11124609e-09 5.00917217e-10 -5.97955230e-10] [ 3.11124609e-09 5.00917217e-10 5.97955230e-10] [-3.11124609e-09 5.00917217e-10 -5.97955230e-10] [-3.11124609e-09 -5.00917217e-10 -5.97955230e-10] [ 3.11124609e-09 -5.00917217e-10 5.97955230e-10] [-3.11124609e-09 -5.00917217e-10 -5.97955230e-10] [ 3.11124609e-09 -5.00917217e-10 5.97955230e-10] [-2.36997030e-09 -5.22800971e-10 3.40180641e-09] [ 2.36997030e-09 -5.22800971e-10 -3.40180641e-09] [-2.36997030e-09 -5.22800971e-10 3.40180641e-09] [ 2.36997030e-09 -5.22800971e-10 -3.40180641e-09] [ 2.36997030e-09 5.22800971e-10 -3.40180641e-09] [-2.36997030e-09 5.22800971e-10 3.40180641e-09] [ 2.36997030e-09 5.22800971e-10 -3.40180641e-09] [-2.36997030e-09 5.22800971e-10 3.40180641e-09] [-3.07716908e-10 -2.22655254e-09 3.46244252e-09] [ 3.07716908e-10 -2.22655254e-09 -3.46244252e-09] [-3.07716908e-10 -2.22655254e-09 3.46244252e-09] [ 3.07716908e-10 -2.22655254e-09 -3.46244252e-09] [ 3.07716908e-10 2.22655254e-09 -3.46244252e-09] [-3.07716908e-10 2.22655254e-09 3.46244252e-09] [ 3.07716908e-10 2.22655254e-09 -3.46244252e-09] [-3.07716908e-10 2.22655254e-09 3.46244252e-09] [ 1.25856791e-09 1.36776663e-09 -1.72094143e-09] [-1.25856791e-09 1.36776663e-09 1.72094143e-09] [ 1.25856791e-09 1.36776663e-09 -1.72094143e-09] [-1.25856791e-09 1.36776663e-09 1.72094143e-09] [-1.25856791e-09 -1.36776663e-09 1.72094143e-09] [ 1.25856791e-09 -1.36776663e-09 -1.72094143e-09] [-1.25856791e-09 -1.36776663e-09 1.72094143e-09] [ 1.25856791e-09 -1.36776663e-09 -1.72094143e-09] [ 8.50645761e-10 -3.79558173e-10 -2.11487921e-09] [-8.50645761e-10 -3.79558173e-10 2.11487921e-09] [ 8.50645761e-10 -3.79558173e-10 -2.11487921e-09] [-8.50645761e-10 -3.79558173e-10 2.11487921e-09] [-8.50645761e-10 3.79558173e-10 2.11487921e-09] [ 8.50645761e-10 3.79558173e-10 -2.11487921e-09] [-8.50645761e-10 3.79558173e-10 2.11487921e-09] [ 8.50645761e-10 3.79558173e-10 -2.11487921e-09] [ 3.73480176e-09 3.31665281e-09 5.28486155e-09] [-3.73480176e-09 3.31665281e-09 -5.28486155e-09] [ 3.73480176e-09 3.31665281e-09 5.28486155e-09] [-3.73480176e-09 3.31665281e-09 -5.28486155e-09] [-3.73480176e-09 -3.31665281e-09 -5.28486155e-09] [ 3.73480176e-09 -3.31665281e-09 5.28486155e-09] [-3.73480176e-09 -3.31665281e-09 -5.28486155e-09] [ 3.73480176e-09 -3.31665281e-09 5.28486155e-09] [ 1.80219779e-09 2.02303648e-10 1.70028355e-09] [-1.80219779e-09 2.02303648e-10 -1.70028355e-09] [ 1.80219779e-09 2.02303648e-10 1.70028355e-09] [-1.80219779e-09 2.02303648e-10 -1.70028355e-09] [-1.80219779e-09 -2.02303648e-10 -1.70028355e-09] [ 1.80219779e-09 -2.02303648e-10 1.70028355e-09] [-1.80219779e-09 -2.02303648e-10 -1.70028355e-09] [ 1.80219779e-09 -2.02303648e-10 1.70028355e-09] [ 3.36170543e-10 2.83573416e-09 -2.29143733e-09] [-3.36170543e-10 2.83573416e-09 2.29143733e-09] [ 3.36170543e-10 2.83573416e-09 -2.29143733e-09] [-3.36170543e-10 2.83573416e-09 2.29143733e-09] [-3.36170543e-10 -2.83573416e-09 2.29143733e-09] [ 3.36170543e-10 -2.83573416e-09 -2.29143733e-09] [-3.36170543e-10 -2.83573416e-09 2.29143733e-09] [ 3.36170543e-10 -2.83573416e-09 -2.29143733e-09] [-1.11299775e-09 4.05619711e-10 3.83386734e-11] [ 1.11299775e-09 4.05619711e-10 -3.83386734e-11] [-1.11299775e-09 4.05619711e-10 3.83386734e-11] [ 1.11299775e-09 4.05619711e-10 -3.83386734e-11] [ 1.11299775e-09 -4.05619711e-10 -3.83386734e-11] [-1.11299775e-09 -4.05619711e-10 3.83386734e-11] [ 1.11299775e-09 -4.05619711e-10 -3.83386734e-11] [-1.11299775e-09 -4.05619711e-10 3.83386734e-11] [-1.08009703e-09 -5.91881880e-09 -3.17145467e-09] [ 1.08009703e-09 -5.91881880e-09 3.17145467e-09] [-1.08009703e-09 -5.91881880e-09 -3.17145467e-09] [ 1.08009703e-09 -5.91881880e-09 3.17145467e-09] [ 1.08009703e-09 5.91881880e-09 3.17145467e-09] [-1.08009703e-09 5.91881880e-09 -3.17145467e-09] [ 1.08009703e-09 5.91881880e-09 3.17145467e-09] [-1.08009703e-09 5.91881880e-09 -3.17145467e-09] [ 1.13410526e-09 -2.64239943e-09 -5.54117087e-10] [-1.13410526e-09 -2.64239943e-09 5.54117087e-10] [ 1.13410526e-09 -2.64239943e-09 -5.54117087e-10] [-1.13410526e-09 -2.64239943e-09 5.54117087e-10] [-1.13410526e-09 2.64239943e-09 5.54117087e-10] [ 1.13410526e-09 2.64239943e-09 -5.54117087e-10] [-1.13410526e-09 2.64239943e-09 5.54117087e-10] [ 1.13410526e-09 2.64239943e-09 -5.54117087e-10] [ 2.62014458e-09 4.99190929e-10 2.38217698e-09] [-2.62014458e-09 4.99190929e-10 -2.38217698e-09] [ 2.62014458e-09 4.99190929e-10 2.38217698e-09] [-2.62014458e-09 4.99190929e-10 -2.38217698e-09] [-2.62014458e-09 -4.99190929e-10 -2.38217698e-09] [ 2.62014458e-09 -4.99190929e-10 2.38217698e-09] [-2.62014458e-09 -4.99190929e-10 -2.38217698e-09] [ 2.62014458e-09 -4.99190929e-10 2.38217698e-09] [-1.88035381e-09 1.21154448e-09 -3.58750313e-09] [ 1.88035381e-09 1.21154448e-09 3.58750313e-09] [-1.88035381e-09 1.21154448e-09 -3.58750313e-09] [ 1.88035381e-09 1.21154448e-09 3.58750313e-09] [ 1.88035381e-09 -1.21154448e-09 3.58750313e-09] [-1.88035381e-09 -1.21154448e-09 -3.58750313e-09] [ 1.88035381e-09 -1.21154448e-09 3.58750313e-09] [-1.88035381e-09 -1.21154448e-09 -3.58750313e-09]] stress = [-1.06003383e-11 2.34564352e-11 4.61481349e-12 1.27415908e-31 8.76686549e-12 -2.63657026e-31] energy per atom = -4.5422850374366375 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0