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 16:11:00 -728.589811 0.4227 BFGS: 1 16:11:00 -728.794950 0.4046 BFGS: 2 16:11:00 -729.251529 0.3823 BFGS: 3 16:11:01 -729.346946 0.2698 BFGS: 4 16:11:02 -729.447782 0.6687 BFGS: 5 16:11:03 -729.496109 0.2427 BFGS: 6 16:11:03 -729.519541 0.1850 BFGS: 7 16:11:04 -729.550792 0.2218 BFGS: 8 16:11:04 -729.568819 0.2076 BFGS: 9 16:11:05 -729.584775 0.1960 BFGS: 10 16:11:06 -729.599638 0.2083 BFGS: 11 16:11:06 -729.614382 0.2155 BFGS: 12 16:11:07 -729.626976 0.2149 BFGS: 13 16:11:08 -729.638053 0.2095 BFGS: 14 16:11:09 -729.648021 0.2035 BFGS: 15 16:11:09 -729.656710 0.1999 BFGS: 16 16:11:10 -729.664381 0.1993 BFGS: 17 16:11:10 -729.672503 0.1996 BFGS: 18 16:11:11 -729.682160 0.1983 BFGS: 19 16:11:12 -729.691987 0.1936 BFGS: 20 16:11:12 -729.701167 0.1855 BFGS: 21 16:11:13 -729.709695 0.1753 BFGS: 22 16:11:14 -729.717985 0.1647 BFGS: 23 16:11:14 -729.726380 0.1553 BFGS: 24 16:11:15 -729.734806 0.1474 BFGS: 25 16:11:16 -729.743046 0.1406 BFGS: 26 16:11:16 -729.750935 0.1346 BFGS: 27 16:11:17 -729.758390 0.1290 BFGS: 28 16:11:18 -729.765384 0.1236 BFGS: 29 16:11:18 -729.771921 0.1182 BFGS: 30 16:11:19 -729.778031 0.1128 BFGS: 31 16:11:20 -729.783768 0.1074 BFGS: 32 16:11:20 -729.789209 0.1018 BFGS: 33 16:11:21 -729.794455 0.0962 BFGS: 34 16:11:22 -729.799619 0.0906 BFGS: 35 16:11:22 -729.804816 0.0848 BFGS: 36 16:11:23 -729.810146 0.0832 BFGS: 37 16:11:23 -729.815672 0.0860 BFGS: 38 16:11:24 -729.821421 0.0886 BFGS: 39 16:11:25 -729.827372 0.0910 BFGS: 40 16:11:25 -729.833469 0.0931 BFGS: 41 16:11:26 -729.839629 0.0949 BFGS: 42 16:11:28 -729.845751 0.0964 BFGS: 43 16:11:28 -729.851733 0.0975 BFGS: 44 16:11:29 -729.857478 0.0983 BFGS: 45 16:11:30 -729.862904 0.0988 BFGS: 46 16:11:31 -729.867953 0.0990 BFGS: 47 16:11:31 -729.872606 0.0988 BFGS: 48 16:11:32 -729.876451 0.0983 BFGS: 49 16:11:33 -729.879247 0.0979 BFGS: 50 16:11:33 -729.881595 0.0976 BFGS: 51 16:11:34 -729.882976 0.0976 BFGS: 52 16:11:34 -729.884336 0.0976 BFGS: 53 16:11:35 -729.885709 0.0971 BFGS: 54 16:11:36 -729.886921 0.0958 BFGS: 55 16:11:36 -729.886130 0.0888 BFGS: 56 16:11:37 -729.888593 0.0908 BFGS: 57 16:11:37 -729.890066 0.0906 BFGS: 58 16:11:38 -729.891800 0.0884 BFGS: 59 16:11:38 -729.894589 0.0820 BFGS: 60 16:11:39 -729.897228 0.0755 BFGS: 61 16:11:39 -729.899720 0.0704 BFGS: 62 16:11:40 -729.902217 0.0659 BFGS: 63 16:11:40 -729.904752 0.0616 BFGS: 64 16:11:41 -729.907307 0.0573 BFGS: 65 16:11:41 -729.909881 0.0526 BFGS: 66 16:11:42 -729.912416 0.0474 BFGS: 67 16:11:42 -729.914909 0.0416 BFGS: 68 16:11:42 -729.917355 0.0364 BFGS: 69 16:11:43 -729.919816 0.0366 BFGS: 70 16:11:43 -729.922053 0.0341 BFGS: 71 16:11:44 -729.924258 0.0345 BFGS: 72 16:11:44 -729.926048 0.0348 BFGS: 73 16:11:44 -729.927194 0.0281 BFGS: 74 16:11:45 -729.928069 0.0192 BFGS: 75 16:11:45 -729.928805 0.0250 BFGS: 76 16:11:46 -729.929426 0.0233 BFGS: 77 16:11:47 -729.929960 0.0171 BFGS: 78 16:11:47 -729.930438 0.0166 BFGS: 79 16:11:48 -729.930848 0.0177 BFGS: 80 16:11:48 -729.931209 0.0164 BFGS: 81 16:11:49 -729.931580 0.0130 BFGS: 82 16:11:49 -729.931994 0.0142 BFGS: 83 16:11:50 -729.932381 0.0122 BFGS: 84 16:11:50 -729.932640 0.0108 BFGS: 85 16:11:51 -729.932780 0.0076 BFGS: 86 16:11:51 -729.932865 0.0056 BFGS: 87 16:11:52 -729.932926 0.0053 BFGS: 88 16:11:52 -729.932969 0.0051 BFGS: 89 16:11:53 -729.932999 0.0050 BFGS: 90 16:11:53 -729.933026 0.0049 BFGS: 91 16:11:54 -729.933051 0.0048 BFGS: 92 16:11:54 -729.933071 0.0047 BFGS: 93 16:11:55 -729.933083 0.0046 BFGS: 94 16:11:55 -729.933091 0.0046 BFGS: 95 16:11:55 -729.933098 0.0046 BFGS: 96 16:11:56 -729.933106 0.0045 BFGS: 97 16:11:56 -729.933114 0.0045 BFGS: 98 16:11:57 -729.933122 0.0045 BFGS: 99 16:11:57 -729.933127 0.0045 BFGS: 100 16:11:58 -729.933131 0.0045 BFGS: 101 16:11:58 -729.933136 0.0044 BFGS: 102 16:11:58 -729.933144 0.0044 BFGS: 103 16:11:59 -729.933155 0.0043 BFGS: 104 16:11:59 -729.933168 0.0041 BFGS: 105 16:12:00 -729.933179 0.0040 BFGS: 106 16:12:00 -729.933189 0.0038 BFGS: 107 16:12:01 -729.933197 0.0037 BFGS: 108 16:12:01 -729.933207 0.0035 BFGS: 109 16:12:02 -729.933220 0.0034 BFGS: 110 16:12:03 -729.933235 0.0032 BFGS: 111 16:12:03 -729.933251 0.0030 BFGS: 112 16:12:04 -729.933266 0.0027 BFGS: 113 16:12:04 -729.933278 0.0025 BFGS: 114 16:12:05 -729.933289 0.0023 BFGS: 115 16:12:05 -729.933302 0.0026 BFGS: 116 16:12:05 -729.933317 0.0025 BFGS: 117 16:12:06 -729.933334 0.0025 BFGS: 118 16:12:06 -729.933350 0.0025 BFGS: 119 16:12:07 -729.933363 0.0025 BFGS: 120 16:12:07 -729.933372 0.0022 BFGS: 121 16:12:07 -729.933379 0.0019 BFGS: 122 16:12:08 -729.933386 0.0021 BFGS: 123 16:12:08 -729.933392 0.0017 BFGS: 124 16:12:09 -729.933397 0.0016 BFGS: 125 16:12:10 -729.933401 0.0015 BFGS: 126 16:12:10 -729.933404 0.0011 BFGS: 127 16:12:11 -729.933406 0.0007 BFGS: 128 16:12:11 -729.933407 0.0006 BFGS: 129 16:12:12 -729.933407 0.0005 BFGS: 130 16:12:12 -729.933408 0.0003 BFGS: 131 16:12:13 -729.933408 0.0003 BFGS: 132 16:12:13 -729.933408 0.0003 BFGS: 133 16:12:14 -729.933408 0.0002 BFGS: 134 16:12:15 -729.933408 0.0002 BFGS: 135 16:12:15 -729.933408 0.0001 BFGS: 136 16:12:16 -729.933408 0.0001 BFGS: 137 16:12:16 -729.933408 0.0001 BFGS: 138 16:12:16 -729.933408 0.0001 BFGS: 139 16:12:17 -729.933408 0.0001 BFGS: 140 16:12:17 -729.933408 0.0001 BFGS: 141 16:12:18 -729.933408 0.0001 BFGS: 142 16:12:18 -729.933408 0.0001 BFGS: 143 16:12:19 -729.933408 0.0000 BFGS: 144 16:12:19 -729.933409 0.0000 BFGS: 145 16:12:20 -729.933409 0.0000 BFGS: 146 16:12:20 -729.933409 0.0000 BFGS: 147 16:12:20 -729.933409 0.0000 BFGS: 148 16:12:21 -729.933409 0.0000 BFGS: 149 16:12:21 -729.933409 0.0000 BFGS: 150 16:12:22 -729.933409 0.0000 BFGS: 151 16:12:22 -729.933409 0.0000 BFGS: 152 16:12:23 -729.933409 0.0000 BFGS: 153 16:12:23 -729.933409 0.0000 BFGS: 154 16:12:23 -729.933409 0.0000 BFGS: 155 16:12:24 -729.933409 0.0000 BFGS: 156 16:12:24 -729.933409 0.0000 BFGS: 157 16:12:25 -729.933409 0.0000 BFGS: 158 16:12:25 -729.933409 0.0000 BFGS: 159 16:12:26 -729.933409 0.0000 BFGS: 160 16:12:26 -729.933409 0.0000 BFGS: 161 16:12:26 -729.933409 0.0000 BFGS: 162 16:12:27 -729.933409 0.0000 BFGS: 163 16:12:28 -729.933409 0.0000 BFGS: 164 16:12:28 -729.933409 0.0000 BFGS: 165 16:12:29 -729.933409 0.0000 BFGS: 166 16:12:29 -729.933409 0.0000 BFGS: 167 16:12:30 -729.933409 0.0000 BFGS: 168 16:12:30 -729.933409 0.0000 BFGS: 169 16:12:31 -729.933409 0.0000 BFGS: 170 16:12:32 -729.933409 0.0000 BFGS: 171 16:12:32 -729.933409 0.0000 BFGS: 172 16:12:33 -729.933409 0.0000 BFGS: 173 16:12:33 -729.933409 0.0000 BFGS: 174 16:12:34 -729.933409 0.0000 BFGS: 175 16:12:34 -729.933409 0.0000 BFGS: 176 16:12:35 -729.933409 0.0000 BFGS: 177 16:12:35 -729.933409 0.0000 BFGS: 178 16:12:35 -729.933409 0.0000 BFGS: 179 16:12:36 -729.933409 0.0000 BFGS: 180 16:12:36 -729.933409 0.0000 BFGS: 181 16:12:37 -729.933409 0.0000 BFGS: 182 16:12:37 -729.933409 0.0000 BFGS: 183 16:12:38 -729.933409 0.0000 BFGS: 184 16:12:38 -729.933409 0.0000 BFGS: 185 16:12:39 -729.933409 0.0000 BFGS: 186 16:12:39 -729.933409 0.0000 BFGS: 187 16:12:40 -729.933409 0.0000 BFGS: 188 16:12:40 -729.933409 0.0000 BFGS: 189 16:12:40 -729.933409 0.0000 BFGS: 190 16:12:41 -729.933409 0.0000 BFGS: 191 16:12:41 -729.933409 0.0000 BFGS: 192 16:12:42 -729.933409 0.0000 BFGS: 193 16:12:42 -729.933409 0.0000 BFGS: 194 16:12:42 -729.933409 0.0000 BFGS: 195 16:12:43 -729.933409 0.0000 BFGS: 196 16:12:44 -729.933409 0.0000 BFGS: 197 16:12:44 -729.933409 0.0000 BFGS: 198 16:12:45 -729.933409 0.0000 BFGS: 199 16:12:46 -729.933409 0.0000 BFGS: 200 16:12:47 -729.933409 0.0000 BFGS: 201 16:12:48 -729.933409 0.0000 BFGS: 202 16:12:48 -729.933409 0.0000 BFGS: 203 16:12:49 -729.933409 0.0000 BFGS: 204 16:12:49 -729.933409 0.0000 BFGS: 205 16:12:49 -729.933409 0.0000 BFGS: 206 16:12:50 -729.933409 0.0000 BFGS: 207 16:12:50 -729.933409 0.0000 BFGS: 208 16:12:50 -729.933409 0.0000 BFGS: 209 16:12:51 -729.933409 0.0000 BFGS: 210 16:12:51 -729.933409 0.0000 BFGS: 211 16:12:51 -729.933409 0.0000 BFGS: 212 16:12:52 -729.933409 0.0000 BFGS: 213 16:12:52 -729.933409 0.0000 BFGS: 214 16:12:52 -729.933409 0.0000 BFGS: 215 16:12:52 -729.933409 0.0000 BFGS: 216 16:12:53 -729.933409 0.0000 BFGS: 217 16:12:53 -729.933409 0.0000 BFGS: 218 16:12:53 -729.933409 0.0000 Minimization converged after 218 steps. Maximum force component: 8.386981648891498e-09 eV/Angstrom Maximum stress component: 1.407732517125284e-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 = [[1.09401821e-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 3.72018731e-01 1.40723215e-01] [2.54798549e-01 7.64674442e-01 7.53676874e-01] [7.45201451e-01 7.64674442e-01 7.46323126e-01] [7.54798549e-01 2.64674442e-01 7.53676874e-01] [2.45201451e-01 2.64674442e-01 7.46323126e-01] [7.45201451e-01 2.35325558e-01 2.46323126e-01] [2.54798549e-01 2.35325558e-01 2.53676874e-01] [2.45201451e-01 7.35325558e-01 2.46323126e-01] [7.54798549e-01 7.35325558e-01 2.53676874e-01] [6.74496718e-01 2.24945160e-01 8.82032435e-01] [3.25503282e-01 2.24945160e-01 6.17967565e-01] [1.74496718e-01 7.24945160e-01 8.82032435e-01] [8.25503282e-01 7.24945160e-01 6.17967565e-01] [3.25503282e-01 7.75054840e-01 1.17967565e-01] [6.74496718e-01 7.75054840e-01 3.82032435e-01] [8.25503282e-01 2.75054840e-01 1.17967565e-01] [1.74496718e-01 2.75054840e-01 3.82032435e-01] [6.93608540e-01 9.03781041e-02 7.65838081e-01] [3.06391460e-01 9.03781041e-02 7.34161919e-01] [1.93608540e-01 5.90378104e-01 7.65838081e-01] [8.06391460e-01 5.90378104e-01 7.34161919e-01] [3.06391460e-01 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-3.89376875e-09 1.51198176e-10] [ 1.13853280e-09 -3.89376875e-09 -1.51198176e-10] [-1.13853280e-09 -3.89376875e-09 1.51198176e-10] [-1.13853280e-09 3.89376875e-09 1.51198176e-10] [ 1.13853280e-09 3.89376875e-09 -1.51198176e-10] [-1.13853280e-09 3.89376875e-09 1.51198176e-10] [ 1.13853280e-09 3.89376875e-09 -1.51198176e-10] [-2.85796584e-09 -1.48362804e-09 1.04378624e-09] [ 2.85796584e-09 -1.48362804e-09 -1.04378624e-09] [-2.85796584e-09 -1.48362804e-09 1.04378624e-09] [ 2.85796584e-09 -1.48362804e-09 -1.04378624e-09] [ 2.85796584e-09 1.48362804e-09 -1.04378624e-09] [-2.85796584e-09 1.48362804e-09 1.04378624e-09] [ 2.85796584e-09 1.48362804e-09 -1.04378624e-09] [-2.85796584e-09 1.48362804e-09 1.04378624e-09] [ 4.85702463e-09 8.73869935e-11 5.45949998e-10] [-4.85702463e-09 8.73869935e-11 -5.45949998e-10] [ 4.85702463e-09 8.73869935e-11 5.45949998e-10] [-4.85702463e-09 8.73869935e-11 -5.45949998e-10] [-4.85702463e-09 -8.73869935e-11 -5.45949998e-10] [ 4.85702463e-09 -8.73869935e-11 5.45949998e-10] [-4.85702463e-09 -8.73869935e-11 -5.45949998e-10] [ 4.85702463e-09 -8.73869935e-11 5.45949998e-10] [-3.03148014e-09 7.29408738e-10 3.23968127e-09] [ 3.03148014e-09 7.29408738e-10 -3.23968127e-09] [-3.03148014e-09 7.29408738e-10 3.23968127e-09] [ 3.03148014e-09 7.29408738e-10 -3.23968127e-09] [ 3.03148014e-09 -7.29408738e-10 -3.23968127e-09] [-3.03148014e-09 -7.29408738e-10 3.23968127e-09] [ 3.03148014e-09 -7.29408738e-10 -3.23968127e-09] [-3.03148014e-09 -7.29408738e-10 3.23968127e-09] [-4.74025197e-09 2.52258717e-09 1.34530737e-09] [ 4.74025197e-09 2.52258717e-09 -1.34530737e-09] [-4.74025197e-09 2.52258717e-09 1.34530737e-09] [ 4.74025197e-09 2.52258717e-09 -1.34530737e-09] [ 4.74025197e-09 -2.52258717e-09 -1.34530737e-09] [-4.74025197e-09 -2.52258717e-09 1.34530737e-09] [ 4.74025197e-09 -2.52258717e-09 -1.34530737e-09] [-4.74025197e-09 -2.52258717e-09 1.34530737e-09] [-1.62484530e-09 1.57834036e-09 1.01344238e-09] [ 1.62484530e-09 1.57834036e-09 -1.01344238e-09] [-1.62484530e-09 1.57834036e-09 1.01344238e-09] [ 1.62484530e-09 1.57834036e-09 -1.01344238e-09] [ 1.62484530e-09 -1.57834036e-09 -1.01344238e-09] [-1.62484530e-09 -1.57834036e-09 1.01344238e-09] [ 1.62484530e-09 -1.57834036e-09 -1.01344238e-09] [-1.62484530e-09 -1.57834036e-09 1.01344238e-09]] stress = [ 1.16032052e-11 -1.40773252e-11 -5.18083682e-12 5.85897773e-32 7.34947103e-12 1.35535566e-31] energy per atom = -4.4508134665383015 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0