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: Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004 ==== 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 15:18:43 -728.589811 0.422743 BFGS: 1 15:18:43 -728.794950 0.404592 BFGS: 2 15:18:43 -729.251529 0.382272 BFGS: 3 15:18:43 -729.346946 0.269796 BFGS: 4 15:18:44 -729.447782 0.668727 BFGS: 5 15:18:44 -729.496109 0.242727 BFGS: 6 15:18:44 -729.519541 0.185047 BFGS: 7 15:18:44 -729.550792 0.221834 BFGS: 8 15:18:44 -729.568819 0.207578 BFGS: 9 15:18:44 -729.584775 0.196010 BFGS: 10 15:18:44 -729.599638 0.208314 BFGS: 11 15:18:44 -729.614382 0.215507 BFGS: 12 15:18:44 -729.626976 0.214884 BFGS: 13 15:18:44 -729.638053 0.209488 BFGS: 14 15:18:44 -729.648021 0.203479 BFGS: 15 15:18:44 -729.656710 0.199943 BFGS: 16 15:18:45 -729.664381 0.199275 BFGS: 17 15:18:45 -729.672503 0.199557 BFGS: 18 15:18:45 -729.682160 0.198299 BFGS: 19 15:18:45 -729.691987 0.193592 BFGS: 20 15:18:45 -729.701167 0.185533 BFGS: 21 15:18:45 -729.709695 0.175270 BFGS: 22 15:18:45 -729.717985 0.164709 BFGS: 23 15:18:45 -729.726380 0.155318 BFGS: 24 15:18:46 -729.734806 0.147406 BFGS: 25 15:18:46 -729.743046 0.140648 BFGS: 26 15:18:46 -729.750935 0.134620 BFGS: 27 15:18:46 -729.758390 0.128993 BFGS: 28 15:18:46 -729.765384 0.123554 BFGS: 29 15:18:46 -729.771921 0.118177 BFGS: 30 15:18:46 -729.778031 0.112790 BFGS: 31 15:18:47 -729.783768 0.107352 BFGS: 32 15:18:47 -729.789209 0.101842 BFGS: 33 15:18:48 -729.794455 0.096246 BFGS: 34 15:18:48 -729.799619 0.090561 BFGS: 35 15:18:49 -729.804816 0.084785 BFGS: 36 15:18:49 -729.810146 0.083190 BFGS: 37 15:18:50 -729.815672 0.086014 BFGS: 38 15:18:50 -729.821421 0.088649 BFGS: 39 15:18:51 -729.827372 0.091037 BFGS: 40 15:18:52 -729.833469 0.093136 BFGS: 41 15:18:52 -729.839629 0.094920 BFGS: 42 15:18:53 -729.845751 0.096375 BFGS: 43 15:18:53 -729.851733 0.097501 BFGS: 44 15:18:54 -729.857478 0.098303 BFGS: 45 15:18:55 -729.862904 0.098788 BFGS: 46 15:18:55 -729.867953 0.098958 BFGS: 47 15:18:56 -729.872606 0.098794 BFGS: 48 15:18:57 -729.876451 0.098319 BFGS: 49 15:18:57 -729.879247 0.097874 BFGS: 50 15:18:58 -729.881595 0.097606 BFGS: 51 15:18:58 -729.882976 0.097611 BFGS: 52 15:18:59 -729.884336 0.097561 BFGS: 53 15:18:59 -729.885709 0.097061 BFGS: 54 15:19:00 -729.886921 0.095785 BFGS: 55 15:19:00 -729.886130 0.088842 BFGS: 56 15:19:01 -729.888593 0.090770 BFGS: 57 15:19:01 -729.890066 0.090606 BFGS: 58 15:19:02 -729.891800 0.088414 BFGS: 59 15:19:02 -729.894589 0.082028 BFGS: 60 15:19:03 -729.897228 0.075509 BFGS: 61 15:19:04 -729.899720 0.070417 BFGS: 62 15:19:04 -729.902217 0.065923 BFGS: 63 15:19:05 -729.904752 0.061609 BFGS: 64 15:19:05 -729.907307 0.057285 BFGS: 65 15:19:06 -729.909881 0.052594 BFGS: 66 15:19:06 -729.912416 0.047427 BFGS: 67 15:19:07 -729.914909 0.041644 BFGS: 68 15:19:07 -729.917355 0.036375 BFGS: 69 15:19:08 -729.919816 0.036583 BFGS: 70 15:19:08 -729.922053 0.034134 BFGS: 71 15:19:09 -729.924258 0.034475 BFGS: 72 15:19:09 -729.926048 0.034828 BFGS: 73 15:19:10 -729.927194 0.028133 BFGS: 74 15:19:10 -729.928069 0.019171 BFGS: 75 15:19:11 -729.928805 0.025001 BFGS: 76 15:19:11 -729.929426 0.023322 BFGS: 77 15:19:12 -729.929960 0.017137 BFGS: 78 15:19:13 -729.930438 0.016587 BFGS: 79 15:19:13 -729.930848 0.017663 BFGS: 80 15:19:14 -729.931209 0.016414 BFGS: 81 15:19:14 -729.931580 0.013010 BFGS: 82 15:19:15 -729.931994 0.014248 BFGS: 83 15:19:15 -729.932381 0.012249 BFGS: 84 15:19:16 -729.932640 0.010812 BFGS: 85 15:19:17 -729.932780 0.007623 BFGS: 86 15:19:17 -729.932865 0.005597 BFGS: 87 15:19:18 -729.932926 0.005333 BFGS: 88 15:19:18 -729.932969 0.005139 BFGS: 89 15:19:19 -729.932999 0.005016 BFGS: 90 15:19:20 -729.933026 0.004915 BFGS: 91 15:19:20 -729.933051 0.004809 BFGS: 92 15:19:21 -729.933071 0.004707 BFGS: 93 15:19:22 -729.933083 0.004637 BFGS: 94 15:19:22 -729.933091 0.004596 BFGS: 95 15:19:23 -729.933098 0.004567 BFGS: 96 15:19:23 -729.933106 0.004539 BFGS: 97 15:19:24 -729.933114 0.004512 BFGS: 98 15:19:24 -729.933122 0.004491 BFGS: 99 15:19:25 -729.933127 0.004478 BFGS: 100 15:19:25 -729.933131 0.004468 BFGS: 101 15:19:26 -729.933136 0.004448 BFGS: 102 15:19:26 -729.933144 0.004399 BFGS: 103 15:19:27 -729.933155 0.004300 BFGS: 104 15:19:28 -729.933168 0.004144 BFGS: 105 15:19:28 -729.933179 0.003969 BFGS: 106 15:19:29 -729.933189 0.003816 BFGS: 107 15:19:30 -729.933197 0.003684 BFGS: 108 15:19:30 -729.933207 0.003548 BFGS: 109 15:19:31 -729.933220 0.003385 BFGS: 110 15:19:32 -729.933235 0.003184 BFGS: 111 15:19:33 -729.933251 0.002952 BFGS: 112 15:19:33 -729.933266 0.002717 BFGS: 113 15:19:34 -729.933278 0.002506 BFGS: 114 15:19:35 -729.933289 0.002306 BFGS: 115 15:19:35 -729.933302 0.002552 BFGS: 116 15:19:36 -729.933317 0.002499 BFGS: 117 15:19:36 -729.933334 0.002538 BFGS: 118 15:19:37 -729.933350 0.002550 BFGS: 119 15:19:38 -729.933363 0.002534 BFGS: 120 15:19:38 -729.933372 0.002151 BFGS: 121 15:19:39 -729.933379 0.001937 BFGS: 122 15:19:39 -729.933386 0.002123 BFGS: 123 15:19:40 -729.933392 0.001733 BFGS: 124 15:19:41 -729.933397 0.001603 BFGS: 125 15:19:41 -729.933401 0.001545 BFGS: 126 15:19:42 -729.933404 0.001088 BFGS: 127 15:19:42 -729.933406 0.000722 BFGS: 128 15:19:43 -729.933407 0.000585 BFGS: 129 15:19:43 -729.933407 0.000512 BFGS: 130 15:19:44 -729.933408 0.000345 BFGS: 131 15:19:44 -729.933408 0.000317 BFGS: 132 15:19:45 -729.933408 0.000265 BFGS: 133 15:19:45 -729.933408 0.000230 BFGS: 134 15:19:46 -729.933408 0.000164 BFGS: 135 15:19:46 -729.933408 0.000136 BFGS: 136 15:19:47 -729.933408 0.000115 BFGS: 137 15:19:47 -729.933408 0.000110 BFGS: 138 15:19:48 -729.933408 0.000095 BFGS: 139 15:19:48 -729.933408 0.000100 BFGS: 140 15:19:49 -729.933408 0.000089 BFGS: 141 15:19:50 -729.933408 0.000064 BFGS: 142 15:19:50 -729.933408 0.000056 BFGS: 143 15:19:51 -729.933408 0.000044 BFGS: 144 15:19:51 -729.933409 0.000039 BFGS: 145 15:19:52 -729.933409 0.000039 BFGS: 146 15:19:54 -729.933409 0.000028 BFGS: 147 15:19:54 -729.933409 0.000019 BFGS: 148 15:19:55 -729.933409 0.000017 BFGS: 149 15:19:56 -729.933409 0.000016 BFGS: 150 15:19:57 -729.933409 0.000016 BFGS: 151 15:19:57 -729.933409 0.000016 BFGS: 152 15:19:59 -729.933409 0.000016 BFGS: 153 15:19:59 -729.933409 0.000016 BFGS: 154 15:20:00 -729.933409 0.000016 BFGS: 155 15:20:01 -729.933409 0.000016 BFGS: 156 15:20:03 -729.933409 0.000016 BFGS: 157 15:20:03 -729.933409 0.000015 BFGS: 158 15:20:04 -729.933409 0.000015 BFGS: 159 15:20:05 -729.933409 0.000015 BFGS: 160 15:20:05 -729.933409 0.000015 BFGS: 161 15:20:06 -729.933409 0.000015 BFGS: 162 15:20:07 -729.933409 0.000015 BFGS: 163 15:20:07 -729.933409 0.000015 BFGS: 164 15:20:08 -729.933409 0.000014 BFGS: 165 15:20:09 -729.933409 0.000013 BFGS: 166 15:20:09 -729.933409 0.000013 BFGS: 167 15:20:10 -729.933409 0.000013 BFGS: 168 15:20:10 -729.933409 0.000011 BFGS: 169 15:20:11 -729.933409 0.000013 BFGS: 170 15:20:12 -729.933409 0.000016 BFGS: 171 15:20:12 -729.933409 0.000015 BFGS: 172 15:20:13 -729.933409 0.000011 BFGS: 173 15:20:14 -729.933409 0.000009 BFGS: 174 15:20:14 -729.933409 0.000007 BFGS: 175 15:20:17 -729.933409 0.000006 BFGS: 176 15:20:20 -729.933409 0.000004 BFGS: 177 15:20:22 -729.933409 0.000004 BFGS: 178 15:20:23 -729.933409 0.000004 BFGS: 179 15:20:25 -729.933409 0.000003 BFGS: 180 15:20:26 -729.933409 0.000001 BFGS: 181 15:20:29 -729.933409 0.000001 BFGS: 182 15:20:30 -729.933409 0.000001 BFGS: 183 15:20:32 -729.933409 0.000000 BFGS: 184 15:20:34 -729.933409 0.000000 BFGS: 185 15:20:37 -729.933409 0.000000 BFGS: 186 15:20:41 -729.933409 0.000000 BFGS: 187 15:20:44 -729.933409 0.000000 BFGS: 188 15:20:47 -729.933409 0.000000 BFGS: 189 15:20:47 -729.933409 0.000000 BFGS: 190 15:20:49 -729.933409 0.000000 BFGS: 191 15:20:51 -729.933409 0.000000 BFGS: 192 15:20:51 -729.933409 0.000000 BFGS: 193 15:20:52 -729.933409 0.000000 BFGS: 194 15:20:52 -729.933409 0.000000 BFGS: 195 15:20:53 -729.933409 0.000000 BFGS: 196 15:20:53 -729.933409 0.000000 BFGS: 197 15:20:54 -729.933409 0.000000 BFGS: 198 15:20:54 -729.933409 0.000000 BFGS: 199 15:20:55 -729.933409 0.000000 BFGS: 200 15:20:55 -729.933409 0.000000 BFGS: 201 15:20:55 -729.933409 0.000000 BFGS: 202 15:20:56 -729.933409 0.000000 BFGS: 203 15:20:56 -729.933409 0.000000 BFGS: 204 15:20:56 -729.933409 0.000000 BFGS: 205 15:20:56 -729.933409 0.000000 BFGS: 206 15:20:56 -729.933409 0.000000 BFGS: 207 15:20:57 -729.933409 0.000000 BFGS: 208 15:20:57 -729.933409 0.000000 BFGS: 209 15:20:58 -729.933409 0.000000 BFGS: 210 15:20:59 -729.933409 0.000000 BFGS: 211 15:21:00 -729.933409 0.000000 BFGS: 212 15:21:00 -729.933409 0.000000 BFGS: 213 15:21:02 -729.933409 0.000000 BFGS: 214 15:21:03 -729.933409 0.000000 BFGS: 215 15:21:05 -729.933409 0.000000 BFGS: 216 15:21:08 -729.933409 0.000000 BFGS: 217 15:21:10 -729.933409 0.000000 BFGS: 218 15:21:14 -729.933409 0.000000 Minimization converged after 218 steps. Maximum force component: 8.387007440326458e-09 eV/Angstrom Maximum stress component: 1.4077804706960832e-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 = [[3.27539303e-18 5.00456267e-01 2.50000000e-01] [5.00000000e-01 4.56267484e-04 2.50000000e-01] [1.00000000e+00 4.99543733e-01 7.50000000e-01] [5.00000000e-01 9.99543733e-01 7.50000000e-01] [3.08647073e-01 9.63710878e-01 5.97404588e-01] [6.91352927e-01 9.63710878e-01 9.02595412e-01] [8.08647073e-01 4.63710878e-01 5.97404588e-01] [1.91352927e-01 4.63710878e-01 9.02595412e-01] [6.91352927e-01 3.62891219e-02 4.02595412e-01] [3.08647073e-01 3.62891219e-02 9.74045876e-02] [1.91352927e-01 5.36289122e-01 4.02595412e-01] [8.08647073e-01 5.36289122e-01 9.74045876e-02] [1.45743800e-01 6.59869778e-02 7.97745874e-01] [8.54256200e-01 6.59869778e-02 7.02254126e-01] [6.45743800e-01 5.65986978e-01 7.97745874e-01] [3.54256200e-01 5.65986978e-01 7.02254126e-01] [8.54256200e-01 9.34013022e-01 2.02254126e-01] [1.45743800e-01 9.34013022e-01 2.97745874e-01] [3.54256200e-01 4.34013022e-01 2.02254126e-01] [6.45743800e-01 4.34013022e-01 2.97745874e-01] [1.47023344e-01 9.32366545e-01 6.71796250e-01] [8.52976656e-01 9.32366545e-01 8.28203750e-01] [6.47023344e-01 4.32366545e-01 6.71796250e-01] [3.52976656e-01 4.32366545e-01 8.28203750e-01] [8.52976656e-01 6.76334548e-02 3.28203750e-01] [1.47023344e-01 6.76334548e-02 1.71796250e-01] [3.52976656e-01 5.67633455e-01 3.28203750e-01] [6.47023344e-01 5.67633455e-01 1.71796250e-01] [9.14229593e-02 9.57870146e-01 4.93836529e-01] [9.08577041e-01 9.57870146e-01 6.16347092e-03] [5.91422959e-01 4.57870146e-01 4.93836529e-01] [4.08577041e-01 4.57870146e-01 6.16347092e-03] [9.08577041e-01 4.21298536e-02 5.06163471e-01] [9.14229593e-02 4.21298536e-02 9.93836529e-01] [4.08577041e-01 5.42129854e-01 5.06163471e-01] [5.91422959e-01 5.42129854e-01 9.93836529e-01] [6.06966704e-01 3.16794093e-01 8.02899567e-01] [3.93033296e-01 3.16794093e-01 6.97100433e-01] [1.06966704e-01 8.16794093e-01 8.02899567e-01] [8.93033296e-01 8.16794093e-01 6.97100433e-01] [3.93033296e-01 6.83205907e-01 1.97100433e-01] [6.06966704e-01 6.83205907e-01 3.02899567e-01] [8.93033296e-01 1.83205907e-01 1.97100433e-01] [1.06966704e-01 1.83205907e-01 3.02899567e-01] [5.39709139e-01 2.47671364e-01 6.81457088e-01] [4.60290861e-01 2.47671364e-01 8.18542912e-01] [3.97091389e-02 7.47671364e-01 6.81457088e-01] [9.60290861e-01 7.47671364e-01 8.18542912e-01] [4.60290861e-01 7.52328636e-01 3.18542912e-01] [5.39709139e-01 7.52328636e-01 1.81457088e-01] [9.60290861e-01 2.52328636e-01 3.18542912e-01] [3.97091389e-02 2.52328636e-01 1.81457088e-01] [7.73879114e-01 1.27981269e-01 6.40723215e-01] [2.26120886e-01 1.27981269e-01 8.59276785e-01] [2.73879114e-01 6.27981269e-01 6.40723215e-01] [7.26120886e-01 6.27981269e-01 8.59276785e-01] [2.26120886e-01 8.72018731e-01 3.59276785e-01] [7.73879114e-01 8.72018731e-01 1.40723215e-01] [7.26120886e-01 3.72018731e-01 3.59276785e-01] [2.73879114e-01 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[-8.28300679e-10 -3.35806846e-09 1.71736608e-09] [ 8.28300679e-10 -3.35806846e-09 -1.71736608e-09] [-8.28300679e-10 -3.35806846e-09 1.71736608e-09] [ 9.84554491e-10 -1.10150656e-09 -2.42133540e-09] [-9.84554491e-10 -1.10150656e-09 2.42133540e-09] [ 9.84554491e-10 -1.10150656e-09 -2.42133540e-09] [-9.84554491e-10 -1.10150656e-09 2.42133540e-09] [-9.84554491e-10 1.10150656e-09 2.42133540e-09] [ 9.84554491e-10 1.10150656e-09 -2.42133540e-09] [-9.84554491e-10 1.10150656e-09 2.42133540e-09] [ 9.84554491e-10 1.10150656e-09 -2.42133540e-09] [-2.94702562e-10 2.83004221e-09 2.59096625e-09] [ 2.94702562e-10 2.83004221e-09 -2.59096625e-09] [-2.94702562e-10 2.83004221e-09 2.59096625e-09] [ 2.94702562e-10 2.83004221e-09 -2.59096625e-09] [ 2.94702562e-10 -2.83004221e-09 -2.59096625e-09] [-2.94702562e-10 -2.83004221e-09 2.59096625e-09] [ 2.94702562e-10 -2.83004221e-09 -2.59096625e-09] [-2.94702562e-10 -2.83004221e-09 2.59096625e-09] [ 1.13851275e-09 -3.89377385e-09 -1.51177491e-10] [-1.13851275e-09 -3.89377385e-09 1.51177491e-10] [ 1.13851275e-09 -3.89377385e-09 -1.51177491e-10] [-1.13851275e-09 -3.89377385e-09 1.51177491e-10] [-1.13851275e-09 3.89377385e-09 1.51177491e-10] [ 1.13851275e-09 3.89377385e-09 -1.51177491e-10] [-1.13851275e-09 3.89377385e-09 1.51177491e-10] [ 1.13851275e-09 3.89377385e-09 -1.51177491e-10] [-2.85792660e-09 -1.48361481e-09 1.04377680e-09] [ 2.85792660e-09 -1.48361481e-09 -1.04377680e-09] [-2.85792660e-09 -1.48361481e-09 1.04377680e-09] [ 2.85792660e-09 -1.48361481e-09 -1.04377680e-09] [ 2.85792660e-09 1.48361481e-09 -1.04377680e-09] [-2.85792660e-09 1.48361481e-09 1.04377680e-09] [ 2.85792660e-09 1.48361481e-09 -1.04377680e-09] [-2.85792660e-09 1.48361481e-09 1.04377680e-09] [ 4.85700449e-09 8.73826315e-11 5.45989457e-10] [-4.85700449e-09 8.73826315e-11 -5.45989457e-10] [ 4.85700449e-09 8.73826315e-11 5.45989457e-10] [-4.85700449e-09 8.73826315e-11 -5.45989457e-10] [-4.85700449e-09 -8.73826315e-11 -5.45989457e-10] [ 4.85700449e-09 -8.73826315e-11 5.45989457e-10] [-4.85700449e-09 -8.73826315e-11 -5.45989457e-10] [ 4.85700449e-09 -8.73826315e-11 5.45989457e-10] [-3.03146344e-09 7.29394460e-10 3.23968711e-09] [ 3.03146344e-09 7.29394460e-10 -3.23968711e-09] [-3.03146344e-09 7.29394460e-10 3.23968711e-09] [ 3.03146344e-09 7.29394460e-10 -3.23968711e-09] [ 3.03146344e-09 -7.29394460e-10 -3.23968711e-09] [-3.03146344e-09 -7.29394460e-10 3.23968711e-09] [ 3.03146344e-09 -7.29394460e-10 -3.23968711e-09] [-3.03146344e-09 -7.29394460e-10 3.23968711e-09] [-4.74029175e-09 2.52256514e-09 1.34533652e-09] [ 4.74029175e-09 2.52256514e-09 -1.34533652e-09] [-4.74029175e-09 2.52256514e-09 1.34533652e-09] [ 4.74029175e-09 2.52256514e-09 -1.34533652e-09] [ 4.74029175e-09 -2.52256514e-09 -1.34533652e-09] [-4.74029175e-09 -2.52256514e-09 1.34533652e-09] [ 4.74029175e-09 -2.52256514e-09 -1.34533652e-09] [-4.74029175e-09 -2.52256514e-09 1.34533652e-09] [-1.62484120e-09 1.57834745e-09 1.01344507e-09] [ 1.62484120e-09 1.57834745e-09 -1.01344507e-09] [-1.62484120e-09 1.57834745e-09 1.01344507e-09] [ 1.62484120e-09 1.57834745e-09 -1.01344507e-09] [ 1.62484120e-09 -1.57834745e-09 -1.01344507e-09] [-1.62484120e-09 -1.57834745e-09 1.01344507e-09] [ 1.62484120e-09 -1.57834745e-09 -1.01344507e-09] [-1.62484120e-09 -1.57834745e-09 1.01344507e-09]] stress = [ 1.16030001e-11 -1.40778047e-11 -5.18114239e-12 1.45272653e-32 7.34938955e-12 3.36062215e-32] energy per atom = -4.450813466538303 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0