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_2005_SiC__MO_903987585848_005 ==== 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 -728.168747 0.5070 BFGS: 1 16:11:00 -728.383773 0.3546 BFGS: 2 16:11:00 -728.710174 0.2546 BFGS: 3 16:11:00 -728.773604 0.2368 BFGS: 4 16:11:01 -728.963746 0.2021 BFGS: 5 16:11:01 -729.000369 0.2006 BFGS: 6 16:11:01 -729.035670 0.2040 BFGS: 7 16:11:01 -729.054238 0.2098 BFGS: 8 16:11:01 -729.068918 0.2163 BFGS: 9 16:11:02 -729.078103 0.2194 BFGS: 10 16:11:02 -729.087837 0.2199 BFGS: 11 16:11:02 -729.098034 0.2174 BFGS: 12 16:11:02 -729.109424 0.2123 BFGS: 13 16:11:03 -729.121379 0.2059 BFGS: 14 16:11:03 -729.133593 0.1994 BFGS: 15 16:11:03 -729.144981 0.1942 BFGS: 16 16:11:03 -729.155295 0.1903 BFGS: 17 16:11:03 -729.165557 0.1862 BFGS: 18 16:11:04 -729.176487 0.1805 BFGS: 19 16:11:04 -729.186913 0.1737 BFGS: 20 16:11:04 -729.196718 0.1661 BFGS: 21 16:11:05 -729.205709 0.1581 BFGS: 22 16:11:05 -729.213954 0.1500 BFGS: 23 16:11:05 -729.221714 0.1423 BFGS: 24 16:11:06 -729.229274 0.1348 BFGS: 25 16:11:06 -729.236813 0.1277 BFGS: 26 16:11:06 -729.244382 0.1208 BFGS: 27 16:11:06 -729.251938 0.1141 BFGS: 28 16:11:07 -729.259394 0.1075 BFGS: 29 16:11:07 -729.266653 0.1010 BFGS: 30 16:11:08 -729.273637 0.0944 BFGS: 31 16:11:08 -729.280300 0.0878 BFGS: 32 16:11:08 -729.286636 0.0811 BFGS: 33 16:11:09 -729.292678 0.0743 BFGS: 34 16:11:09 -729.298495 0.0702 BFGS: 35 16:11:09 -729.303625 0.1244 BFGS: 36 16:11:09 -729.308028 0.0775 BFGS: 37 16:11:09 -729.312350 0.0777 BFGS: 38 16:11:10 -729.323540 0.0781 BFGS: 39 16:11:10 -729.326215 0.0786 BFGS: 40 16:11:10 -729.330782 0.0804 BFGS: 41 16:11:10 -729.334580 0.0825 BFGS: 42 16:11:11 -729.337541 0.0849 BFGS: 43 16:11:11 -729.340242 0.0875 BFGS: 44 16:11:11 -729.342552 0.0889 BFGS: 45 16:11:11 -729.345256 0.0891 BFGS: 46 16:11:12 -729.347028 0.0879 BFGS: 47 16:11:12 -729.348312 0.0861 BFGS: 48 16:11:12 -729.349492 0.0844 BFGS: 49 16:11:12 -729.350894 0.0829 BFGS: 50 16:11:12 -729.352540 0.0816 BFGS: 51 16:11:13 -729.354499 0.0806 BFGS: 52 16:11:13 -729.356735 0.0794 BFGS: 53 16:11:13 -729.359023 0.0774 BFGS: 54 16:11:14 -729.361021 0.0746 BFGS: 55 16:11:14 -729.362681 0.0714 BFGS: 56 16:11:14 -729.364266 0.0680 BFGS: 57 16:11:15 -729.366062 0.0642 BFGS: 58 16:11:15 -729.368212 0.0601 BFGS: 59 16:11:15 -729.370529 0.0566 BFGS: 60 16:11:15 -729.372951 0.0534 BFGS: 61 16:11:16 -729.375375 0.0503 BFGS: 62 16:11:16 -729.377654 0.0469 BFGS: 63 16:11:16 -729.379596 0.0432 BFGS: 64 16:11:17 -729.381347 0.0420 BFGS: 65 16:11:17 -729.383405 0.0418 BFGS: 66 16:11:17 -729.385564 0.0448 BFGS: 67 16:11:18 -729.388005 0.0428 BFGS: 68 16:11:18 -729.390001 0.0331 BFGS: 69 16:11:18 -729.391447 0.0260 BFGS: 70 16:11:19 -729.392277 0.0196 BFGS: 71 16:11:19 -729.393100 0.0203 BFGS: 72 16:11:19 -729.393854 0.0262 BFGS: 73 16:11:19 -729.394592 0.0565 BFGS: 74 16:11:20 -729.395253 0.0192 BFGS: 75 16:11:20 -729.395710 0.0143 BFGS: 76 16:11:20 -729.395979 0.0126 BFGS: 77 16:11:20 -729.396153 0.0108 BFGS: 78 16:11:21 -729.396403 0.0147 BFGS: 79 16:11:21 -729.396612 0.0158 BFGS: 80 16:11:21 -729.396810 0.0124 BFGS: 81 16:11:21 -729.396966 0.0102 BFGS: 82 16:11:22 -729.397105 0.0077 BFGS: 83 16:11:22 -729.397221 0.0075 BFGS: 84 16:11:22 -729.397308 0.0074 BFGS: 85 16:11:22 -729.397370 0.0062 BFGS: 86 16:11:23 -729.397425 0.0064 BFGS: 87 16:11:23 -729.397487 0.0066 BFGS: 88 16:11:23 -729.397557 0.0064 BFGS: 89 16:11:23 -729.397613 0.0058 BFGS: 90 16:11:23 -729.397645 0.0054 BFGS: 91 16:11:24 -729.397660 0.0053 BFGS: 92 16:11:24 -729.397673 0.0054 BFGS: 93 16:11:24 -729.397687 0.0056 BFGS: 94 16:11:24 -729.397701 0.0057 BFGS: 95 16:11:25 -729.397713 0.0058 BFGS: 96 16:11:25 -729.397722 0.0057 BFGS: 97 16:11:25 -729.397729 0.0056 BFGS: 98 16:11:25 -729.397737 0.0054 BFGS: 99 16:11:26 -729.397746 0.0052 BFGS: 100 16:11:26 -729.397754 0.0051 BFGS: 101 16:11:26 -729.397762 0.0051 BFGS: 102 16:11:27 -729.397769 0.0052 BFGS: 103 16:11:27 -729.397777 0.0052 BFGS: 104 16:11:27 -729.397789 0.0051 BFGS: 105 16:11:27 -729.397806 0.0050 BFGS: 106 16:11:28 -729.397830 0.0047 BFGS: 107 16:11:28 -729.397858 0.0042 BFGS: 108 16:11:28 -729.397886 0.0037 BFGS: 109 16:11:28 -729.397909 0.0040 BFGS: 110 16:11:28 -729.397928 0.0044 BFGS: 111 16:11:29 -729.397946 0.0044 BFGS: 112 16:11:29 -729.397969 0.0046 BFGS: 113 16:11:29 -729.398002 0.0053 BFGS: 114 16:11:30 -729.398041 0.0052 BFGS: 115 16:11:30 -729.398075 0.0036 BFGS: 116 16:11:30 -729.398094 0.0028 BFGS: 117 16:11:31 -729.398103 0.0023 BFGS: 118 16:11:31 -729.398110 0.0021 BFGS: 119 16:11:31 -729.398115 0.0017 BFGS: 120 16:11:31 -729.398120 0.0015 BFGS: 121 16:11:32 -729.398124 0.0015 BFGS: 122 16:11:32 -729.398126 0.0014 BFGS: 123 16:11:32 -729.398128 0.0010 BFGS: 124 16:11:33 -729.398129 0.0008 BFGS: 125 16:11:33 -729.398130 0.0011 BFGS: 126 16:11:33 -729.398132 0.0010 BFGS: 127 16:11:34 -729.398132 0.0008 BFGS: 128 16:11:34 -729.398133 0.0009 BFGS: 129 16:11:35 -729.398134 0.0009 BFGS: 130 16:11:35 -729.398135 0.0008 BFGS: 131 16:11:35 -729.398135 0.0007 BFGS: 132 16:11:35 -729.398136 0.0007 BFGS: 133 16:11:36 -729.398137 0.0005 BFGS: 134 16:11:36 -729.398137 0.0003 BFGS: 135 16:11:36 -729.398137 0.0002 BFGS: 136 16:11:37 -729.398137 0.0002 BFGS: 137 16:11:37 -729.398137 0.0002 BFGS: 138 16:11:37 -729.398137 0.0002 BFGS: 139 16:11:38 -729.398137 0.0001 BFGS: 140 16:11:38 -729.398137 0.0001 BFGS: 141 16:11:38 -729.398137 0.0001 BFGS: 142 16:11:39 -729.398137 0.0001 BFGS: 143 16:11:39 -729.398137 0.0001 BFGS: 144 16:11:39 -729.398137 0.0001 BFGS: 145 16:11:40 -729.398137 0.0001 BFGS: 146 16:11:40 -729.398137 0.0001 BFGS: 147 16:11:40 -729.398137 0.0001 BFGS: 148 16:11:41 -729.398137 0.0001 BFGS: 149 16:11:41 -729.398137 0.0001 BFGS: 150 16:11:41 -729.398137 0.0001 BFGS: 151 16:11:42 -729.398137 0.0001 BFGS: 152 16:11:42 -729.398137 0.0001 BFGS: 153 16:11:42 -729.398137 0.0001 BFGS: 154 16:11:43 -729.398137 0.0001 BFGS: 155 16:11:43 -729.398137 0.0001 BFGS: 156 16:11:44 -729.398137 0.0001 BFGS: 157 16:11:44 -729.398137 0.0001 BFGS: 158 16:11:44 -729.398137 0.0001 BFGS: 159 16:11:45 -729.398137 0.0001 BFGS: 160 16:11:45 -729.398137 0.0001 BFGS: 161 16:11:45 -729.398137 0.0001 BFGS: 162 16:11:46 -729.398137 0.0001 BFGS: 163 16:11:46 -729.398137 0.0001 BFGS: 164 16:11:47 -729.398137 0.0001 BFGS: 165 16:11:47 -729.398137 0.0001 BFGS: 166 16:11:47 -729.398137 0.0001 BFGS: 167 16:11:48 -729.398137 0.0000 BFGS: 168 16:11:48 -729.398137 0.0000 BFGS: 169 16:11:48 -729.398137 0.0000 BFGS: 170 16:11:49 -729.398137 0.0000 BFGS: 171 16:11:49 -729.398137 0.0000 BFGS: 172 16:11:49 -729.398137 0.0000 BFGS: 173 16:11:50 -729.398137 0.0000 BFGS: 174 16:11:50 -729.398137 0.0000 BFGS: 175 16:11:50 -729.398137 0.0000 BFGS: 176 16:11:51 -729.398137 0.0000 BFGS: 177 16:11:51 -729.398137 0.0000 BFGS: 178 16:11:51 -729.398137 0.0000 BFGS: 179 16:11:52 -729.398137 0.0000 BFGS: 180 16:11:52 -729.398137 0.0000 BFGS: 181 16:11:52 -729.398137 0.0000 BFGS: 182 16:11:53 -729.398137 0.0000 BFGS: 183 16:11:53 -729.398137 0.0000 BFGS: 184 16:11:53 -729.398137 0.0000 BFGS: 185 16:11:54 -729.398137 0.0000 BFGS: 186 16:11:54 -729.398137 0.0000 BFGS: 187 16:11:54 -729.398137 0.0000 BFGS: 188 16:11:55 -729.398137 0.0000 BFGS: 189 16:11:55 -729.398137 0.0000 BFGS: 190 16:11:55 -729.398137 0.0000 BFGS: 191 16:11:56 -729.398137 0.0000 BFGS: 192 16:11:56 -729.398137 0.0000 BFGS: 193 16:11:56 -729.398137 0.0000 BFGS: 194 16:11:57 -729.398137 0.0000 BFGS: 195 16:11:57 -729.398137 0.0000 BFGS: 196 16:11:57 -729.398137 0.0000 BFGS: 197 16:11:58 -729.398137 0.0000 BFGS: 198 16:11:58 -729.398137 0.0000 BFGS: 199 16:11:58 -729.398137 0.0000 BFGS: 200 16:11:59 -729.398137 0.0000 BFGS: 201 16:11:59 -729.398137 0.0000 BFGS: 202 16:11:59 -729.398137 0.0000 BFGS: 203 16:12:00 -729.398137 0.0000 BFGS: 204 16:12:00 -729.398137 0.0000 BFGS: 205 16:12:00 -729.398137 0.0000 BFGS: 206 16:12:00 -729.398137 0.0000 BFGS: 207 16:12:01 -729.398137 0.0000 BFGS: 208 16:12:01 -729.398137 0.0000 BFGS: 209 16:12:01 -729.398137 0.0000 BFGS: 210 16:12:01 -729.398137 0.0000 BFGS: 211 16:12:01 -729.398137 0.0000 BFGS: 212 16:12:01 -729.398137 0.0000 BFGS: 213 16:12:02 -729.398137 0.0000 BFGS: 214 16:12:02 -729.398137 0.0000 BFGS: 215 16:12:02 -729.398137 0.0000 BFGS: 216 16:12:02 -729.398137 0.0000 BFGS: 217 16:12:02 -729.398137 0.0000 BFGS: 218 16:12:03 -729.398137 0.0000 BFGS: 219 16:12:03 -729.398137 0.0000 BFGS: 220 16:12:03 -729.398137 0.0000 BFGS: 221 16:12:03 -729.398137 0.0000 BFGS: 222 16:12:04 -729.398137 0.0000 BFGS: 223 16:12:04 -729.398137 0.0000 BFGS: 224 16:12:04 -729.398137 0.0000 BFGS: 225 16:12:05 -729.398137 0.0000 BFGS: 226 16:12:05 -729.398137 0.0000 BFGS: 227 16:12:05 -729.398137 0.0000 BFGS: 228 16:12:06 -729.398137 0.0000 Minimization converged after 228 steps. Maximum force component: 9.770044104469301e-09 eV/Angstrom Maximum stress component: 1.608770965317624e-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 = [[1.09300975e-17 5.01159451e-01 2.50000000e-01] [5.00000000e-01 1.15945143e-03 2.50000000e-01] [0.00000000e+00 4.98840549e-01 7.50000000e-01] [5.00000000e-01 9.98840549e-01 7.50000000e-01] [3.08594107e-01 9.67489175e-01 5.97964837e-01] [6.91405893e-01 9.67489175e-01 9.02035163e-01] [8.08594107e-01 4.67489175e-01 5.97964837e-01] [1.91405893e-01 4.67489175e-01 9.02035163e-01] [6.91405893e-01 3.25108245e-02 4.02035163e-01] [3.08594107e-01 3.25108245e-02 9.79648371e-02] [1.91405893e-01 5.32510825e-01 4.02035163e-01] [8.08594107e-01 5.32510825e-01 9.79648371e-02] [1.45724901e-01 6.66762381e-02 7.98590716e-01] [8.54275099e-01 6.66762381e-02 7.01409284e-01] [6.45724901e-01 5.66676238e-01 7.98590716e-01] [3.54275099e-01 5.66676238e-01 7.01409284e-01] [8.54275099e-01 9.33323762e-01 2.01409284e-01] [1.45724901e-01 9.33323762e-01 2.98590716e-01] [3.54275099e-01 4.33323762e-01 2.01409284e-01] [6.45724901e-01 4.33323762e-01 2.98590716e-01] [1.47386008e-01 9.33026478e-01 6.72191180e-01] [8.52613992e-01 9.33026478e-01 8.27808820e-01] [6.47386008e-01 4.33026478e-01 6.72191180e-01] [3.52613992e-01 4.33026478e-01 8.27808820e-01] [8.52613992e-01 6.69735220e-02 3.27808820e-01] [1.47386008e-01 6.69735220e-02 1.72191180e-01] [3.52613992e-01 5.66973522e-01 3.27808820e-01] [6.47386008e-01 5.66973522e-01 1.72191180e-01] [9.14320591e-02 9.57490399e-01 4.94307254e-01] [9.08567941e-01 9.57490399e-01 5.69274581e-03] [5.91432059e-01 4.57490399e-01 4.94307254e-01] [4.08567941e-01 4.57490399e-01 5.69274581e-03] [9.08567941e-01 4.25096010e-02 5.05692746e-01] [9.14320591e-02 4.25096010e-02 9.94307254e-01] [4.08567941e-01 5.42509601e-01 5.05692746e-01] [5.91432059e-01 5.42509601e-01 9.94307254e-01] [6.07199092e-01 3.17575404e-01 8.02823124e-01] [3.92800908e-01 3.17575404e-01 6.97176876e-01] [1.07199092e-01 8.17575404e-01 8.02823124e-01] [8.92800908e-01 8.17575404e-01 6.97176876e-01] [3.92800908e-01 6.82424596e-01 1.97176876e-01] [6.07199092e-01 6.82424596e-01 3.02823124e-01] [8.92800908e-01 1.82424596e-01 1.97176876e-01] [1.07199092e-01 1.82424596e-01 3.02823124e-01] [5.39891822e-01 2.47080575e-01 6.81890629e-01] [4.60108178e-01 2.47080575e-01 8.18109371e-01] [3.98918223e-02 7.47080575e-01 6.81890629e-01] [9.60108178e-01 7.47080575e-01 8.18109371e-01] [4.60108178e-01 7.52919425e-01 3.18109371e-01] [5.39891822e-01 7.52919425e-01 1.81890629e-01] [9.60108178e-01 2.52919425e-01 3.18109371e-01] [3.98918223e-02 2.52919425e-01 1.81890629e-01] [7.74406509e-01 1.30095031e-01 6.37978771e-01] [2.25593491e-01 1.30095031e-01 8.62021229e-01] [2.74406509e-01 6.30095031e-01 6.37978771e-01] [7.25593491e-01 6.30095031e-01 8.62021229e-01] [2.25593491e-01 8.69904969e-01 3.62021229e-01] [7.74406509e-01 8.69904969e-01 1.37978771e-01] [7.25593491e-01 3.69904969e-01 3.62021229e-01] [2.74406509e-01 3.69904969e-01 1.37978771e-01] [2.54824288e-01 7.64275325e-01 7.53299260e-01] [7.45175712e-01 7.64275325e-01 7.46700740e-01] [7.54824288e-01 2.64275325e-01 7.53299260e-01] [2.45175712e-01 2.64275325e-01 7.46700740e-01] [7.45175712e-01 2.35724675e-01 2.46700740e-01] [2.54824288e-01 2.35724675e-01 2.53299260e-01] [2.45175712e-01 7.35724675e-01 2.46700740e-01] [7.54824288e-01 7.35724675e-01 2.53299260e-01] [6.75193997e-01 2.27132938e-01 8.82768198e-01] [3.24806003e-01 2.27132938e-01 6.17231802e-01] [1.75193997e-01 7.27132938e-01 8.82768198e-01] [8.24806003e-01 7.27132938e-01 6.17231802e-01] [3.24806003e-01 7.72867062e-01 1.17231802e-01] [6.75193997e-01 7.72867062e-01 3.82768198e-01] [8.24806003e-01 2.72867062e-01 1.17231802e-01] [1.75193997e-01 2.72867062e-01 3.82768198e-01] [6.95123885e-01 9.46858563e-02 7.64994847e-01] [3.04876115e-01 9.46858563e-02 7.35005153e-01] [1.95123885e-01 5.94685856e-01 7.64994847e-01] [8.04876115e-01 5.94685856e-01 7.35005153e-01] [3.04876115e-01 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6.03800482e-09 -2.39396750e-09] [ 1.42765262e-09 6.03800482e-09 2.39396750e-09] [-1.42765262e-09 6.03800482e-09 -2.39396750e-09] [-1.42765262e-09 -6.03800482e-09 -2.39396750e-09] [ 1.42765262e-09 -6.03800482e-09 2.39396750e-09] [-1.42765262e-09 -6.03800482e-09 -2.39396750e-09] [ 1.42765262e-09 -6.03800482e-09 2.39396750e-09] [ 2.14999736e-09 2.16541652e-09 2.57959808e-09] [-2.14999736e-09 2.16541652e-09 -2.57959808e-09] [ 2.14999736e-09 2.16541652e-09 2.57959808e-09] [-2.14999736e-09 2.16541652e-09 -2.57959808e-09] [-2.14999736e-09 -2.16541652e-09 -2.57959808e-09] [ 2.14999736e-09 -2.16541652e-09 2.57959808e-09] [-2.14999736e-09 -2.16541652e-09 -2.57959808e-09] [ 2.14999736e-09 -2.16541652e-09 2.57959808e-09] [ 1.87121320e-09 5.80503841e-09 -1.11802137e-09] [-1.87121320e-09 5.80503841e-09 1.11802137e-09] [ 1.87121320e-09 5.80503841e-09 -1.11802137e-09] [-1.87121320e-09 5.80503841e-09 1.11802137e-09] [-1.87121320e-09 -5.80503841e-09 1.11802137e-09] [ 1.87121320e-09 -5.80503841e-09 -1.11802137e-09] [-1.87121320e-09 -5.80503841e-09 1.11802137e-09] [ 1.87121320e-09 -5.80503841e-09 -1.11802137e-09] [ 5.31548341e-09 6.60073053e-10 3.61919827e-10] [-5.31548341e-09 6.60073053e-10 -3.61919827e-10] [ 5.31548341e-09 6.60073053e-10 3.61919827e-10] [-5.31548341e-09 6.60073053e-10 -3.61919827e-10] [-5.31548341e-09 -6.60073053e-10 -3.61919827e-10] [ 5.31548341e-09 -6.60073053e-10 3.61919827e-10] [-5.31548341e-09 -6.60073053e-10 -3.61919827e-10] [ 5.31548341e-09 -6.60073053e-10 3.61919827e-10] [-1.74662096e-09 -1.45198917e-09 -2.14117582e-10] [ 1.74662096e-09 -1.45198917e-09 2.14117582e-10] [-1.74662096e-09 -1.45198917e-09 -2.14117582e-10] [ 1.74662096e-09 -1.45198917e-09 2.14117582e-10] [ 1.74662096e-09 1.45198917e-09 2.14117582e-10] [-1.74662096e-09 1.45198917e-09 -2.14117582e-10] [ 1.74662096e-09 1.45198917e-09 2.14117582e-10] [-1.74662096e-09 1.45198917e-09 -2.14117582e-10] [-4.46271223e-10 -1.99542832e-09 -1.28673326e-09] [ 4.46271223e-10 -1.99542832e-09 1.28673326e-09] [-4.46271223e-10 -1.99542832e-09 -1.28673326e-09] [ 4.46271223e-10 -1.99542832e-09 1.28673326e-09] [ 4.46271223e-10 1.99542832e-09 1.28673326e-09] [-4.46271223e-10 1.99542832e-09 -1.28673326e-09] [ 4.46271223e-10 1.99542832e-09 1.28673326e-09] [-4.46271223e-10 1.99542832e-09 -1.28673326e-09]] stress = [-1.85660846e-12 1.50521299e-11 -1.60877097e-11 2.32952482e-32 1.36545016e-11 -1.19249749e-32] energy per atom = -4.44754961702596 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0