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: SNAP_ZuoChenLi_2019_Si__MO_869330304805_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 18:28:12 -872.572708 0.386893 BFGS: 1 18:28:13 -872.695915 0.319265 BFGS: 2 18:28:14 -872.936274 0.180993 BFGS: 3 18:28:14 -872.958924 0.183927 BFGS: 4 18:28:15 -873.024939 0.141002 BFGS: 5 18:28:16 -873.039439 0.097356 BFGS: 6 18:28:17 -873.053430 0.079632 BFGS: 7 18:28:17 -873.065402 0.078680 BFGS: 8 18:28:18 -873.077067 0.068700 BFGS: 9 18:28:19 -873.082936 0.062371 BFGS: 10 18:28:19 -873.086261 0.058881 BFGS: 11 18:28:20 -873.088911 0.055734 BFGS: 12 18:28:21 -873.091296 0.053510 BFGS: 13 18:28:21 -873.093314 0.052583 BFGS: 14 18:28:22 -873.095382 0.052252 BFGS: 15 18:28:23 -873.097656 0.051835 BFGS: 16 18:28:23 -873.099760 0.050895 BFGS: 17 18:28:24 -873.101343 0.049554 BFGS: 18 18:28:25 -873.102572 0.048087 BFGS: 19 18:28:25 -873.103651 0.046692 BFGS: 20 18:28:26 -873.104515 0.045706 BFGS: 21 18:28:27 -873.105072 0.045265 BFGS: 22 18:28:27 -873.105490 0.044938 BFGS: 23 18:28:28 -873.105974 0.044262 BFGS: 24 18:28:29 -873.106578 0.042911 BFGS: 25 18:28:29 -873.107211 0.041020 BFGS: 26 18:28:30 -873.107805 0.039085 BFGS: 27 18:28:31 -873.108383 0.037374 BFGS: 28 18:28:31 -873.108937 0.036008 BFGS: 29 18:28:32 -873.109374 0.035132 BFGS: 30 18:28:33 -873.109672 0.034558 BFGS: 31 18:28:33 -873.109936 0.033813 BFGS: 32 18:28:34 -873.110271 0.032384 BFGS: 33 18:28:35 -873.110668 0.030112 BFGS: 34 18:28:36 -873.111036 0.027683 BFGS: 35 18:28:36 -873.111328 0.025957 BFGS: 36 18:28:37 -873.111587 0.024967 BFGS: 37 18:28:38 -873.111851 0.024456 BFGS: 38 18:28:38 -873.112102 0.024193 BFGS: 39 18:28:39 -873.112336 0.023837 BFGS: 40 18:28:40 -873.112599 0.023024 BFGS: 41 18:28:40 -873.112947 0.021355 BFGS: 42 18:28:41 -873.113368 0.018731 BFGS: 43 18:28:42 -873.113784 0.018881 BFGS: 44 18:28:42 -873.114151 0.020240 BFGS: 45 18:28:43 -873.114505 0.021418 BFGS: 46 18:28:44 -873.114872 0.022501 BFGS: 47 18:28:45 -873.115223 0.023425 BFGS: 48 18:28:45 -873.115531 0.024107 BFGS: 49 18:28:46 -873.115818 0.024603 BFGS: 50 18:28:47 -873.116107 0.024968 BFGS: 51 18:28:47 -873.116371 0.025150 BFGS: 52 18:28:48 -873.116594 0.025113 BFGS: 53 18:28:49 -873.116815 0.024878 BFGS: 54 18:28:49 -873.117077 0.024439 BFGS: 55 18:28:50 -873.117363 0.023877 BFGS: 56 18:28:51 -873.117602 0.023452 BFGS: 57 18:28:51 -873.117772 0.023325 BFGS: 58 18:28:52 -873.117914 0.023415 BFGS: 59 18:28:52 -873.118061 0.023612 BFGS: 60 18:28:53 -873.118214 0.023771 BFGS: 61 18:28:53 -873.118384 0.023735 BFGS: 62 18:28:54 -873.118615 0.023337 BFGS: 63 18:28:55 -873.118967 0.022290 BFGS: 64 18:28:55 -873.119429 0.020406 BFGS: 65 18:28:56 -873.119868 0.018186 BFGS: 66 18:28:57 -873.120170 0.016558 BFGS: 67 18:28:57 -873.120377 0.015645 BFGS: 68 18:28:58 -873.120568 0.014992 BFGS: 69 18:28:58 -873.120772 0.014334 BFGS: 70 18:28:59 -873.120991 0.013534 BFGS: 71 18:29:00 -873.121245 0.012698 BFGS: 72 18:29:00 -873.121536 0.013693 BFGS: 73 18:29:01 -873.121799 0.011744 BFGS: 74 18:29:01 -873.121971 0.010011 BFGS: 75 18:29:02 -873.122081 0.008024 BFGS: 76 18:29:03 -873.122194 0.008539 BFGS: 77 18:29:03 -873.122344 0.009515 BFGS: 78 18:29:04 -873.122518 0.010354 BFGS: 79 18:29:05 -873.122695 0.010775 BFGS: 80 18:29:06 -873.122871 0.010361 BFGS: 81 18:29:06 -873.123049 0.012281 BFGS: 82 18:29:07 -873.123196 0.009809 BFGS: 83 18:29:07 -873.123278 0.005502 BFGS: 84 18:29:08 -873.123317 0.005045 BFGS: 85 18:29:09 -873.123343 0.003896 BFGS: 86 18:29:10 -873.123367 0.003641 BFGS: 87 18:29:10 -873.123385 0.003277 BFGS: 88 18:29:11 -873.123399 0.002849 BFGS: 89 18:29:12 -873.123414 0.002485 BFGS: 90 18:29:12 -873.123427 0.002550 BFGS: 91 18:29:13 -873.123435 0.001587 BFGS: 92 18:29:14 -873.123438 0.001106 BFGS: 93 18:29:14 -873.123440 0.001115 BFGS: 94 18:29:15 -873.123442 0.001081 BFGS: 95 18:29:16 -873.123444 0.001103 BFGS: 96 18:29:17 -873.123446 0.001018 BFGS: 97 18:29:17 -873.123447 0.001126 BFGS: 98 18:29:18 -873.123449 0.000949 BFGS: 99 18:29:18 -873.123451 0.000787 BFGS: 100 18:29:19 -873.123452 0.000574 BFGS: 101 18:29:20 -873.123452 0.000451 BFGS: 102 18:29:20 -873.123453 0.000412 BFGS: 103 18:29:21 -873.123453 0.000349 BFGS: 104 18:29:22 -873.123453 0.000407 BFGS: 105 18:29:23 -873.123453 0.000377 BFGS: 106 18:29:23 -873.123454 0.000311 BFGS: 107 18:29:24 -873.123454 0.000400 BFGS: 108 18:29:25 -873.123454 0.000381 BFGS: 109 18:29:25 -873.123454 0.000272 BFGS: 110 18:29:26 -873.123454 0.000219 BFGS: 111 18:29:27 -873.123454 0.000240 BFGS: 112 18:29:27 -873.123454 0.000207 BFGS: 113 18:29:28 -873.123454 0.000183 BFGS: 114 18:29:29 -873.123454 0.000166 BFGS: 115 18:29:29 -873.123454 0.000146 BFGS: 116 18:29:30 -873.123454 0.000107 BFGS: 117 18:29:31 -873.123454 0.000096 BFGS: 118 18:29:31 -873.123454 0.000092 BFGS: 119 18:29:32 -873.123454 0.000093 BFGS: 120 18:29:33 -873.123454 0.000090 BFGS: 121 18:29:34 -873.123454 0.000091 BFGS: 122 18:29:34 -873.123454 0.000093 BFGS: 123 18:29:35 -873.123454 0.000095 BFGS: 124 18:29:36 -873.123454 0.000097 BFGS: 125 18:29:36 -873.123454 0.000097 BFGS: 126 18:29:37 -873.123454 0.000097 BFGS: 127 18:29:38 -873.123454 0.000095 BFGS: 128 18:29:39 -873.123454 0.000092 BFGS: 129 18:29:39 -873.123454 0.000091 BFGS: 130 18:29:40 -873.123454 0.000090 BFGS: 131 18:29:41 -873.123455 0.000091 BFGS: 132 18:29:42 -873.123455 0.000091 BFGS: 133 18:29:42 -873.123455 0.000092 BFGS: 134 18:29:43 -873.123455 0.000092 BFGS: 135 18:29:44 -873.123455 0.000092 BFGS: 136 18:29:45 -873.123455 0.000090 BFGS: 137 18:29:45 -873.123455 0.000088 BFGS: 138 18:29:46 -873.123455 0.000085 BFGS: 139 18:29:47 -873.123455 0.000082 BFGS: 140 18:29:48 -873.123455 0.000080 BFGS: 141 18:29:48 -873.123455 0.000078 BFGS: 142 18:29:49 -873.123455 0.000076 BFGS: 143 18:29:50 -873.123455 0.000085 BFGS: 144 18:29:50 -873.123455 0.000092 BFGS: 145 18:29:51 -873.123455 0.000108 BFGS: 146 18:29:52 -873.123455 0.000092 BFGS: 147 18:29:52 -873.123455 0.000069 BFGS: 148 18:29:53 -873.123455 0.000065 BFGS: 149 18:29:54 -873.123455 0.000068 BFGS: 150 18:29:55 -873.123455 0.000069 BFGS: 151 18:29:55 -873.123455 0.000066 BFGS: 152 18:29:56 -873.123455 0.000071 BFGS: 153 18:29:57 -873.123455 0.000065 BFGS: 154 18:29:57 -873.123455 0.000052 BFGS: 155 18:29:58 -873.123455 0.000037 BFGS: 156 18:29:59 -873.123455 0.000037 BFGS: 157 18:30:00 -873.123455 0.000028 BFGS: 158 18:30:00 -873.123455 0.000026 BFGS: 159 18:30:01 -873.123455 0.000027 BFGS: 160 18:30:02 -873.123455 0.000035 BFGS: 161 18:30:02 -873.123455 0.000034 BFGS: 162 18:30:03 -873.123455 0.000021 BFGS: 163 18:30:04 -873.123455 0.000015 BFGS: 164 18:30:04 -873.123455 0.000015 BFGS: 165 18:30:05 -873.123455 0.000013 BFGS: 166 18:30:06 -873.123455 0.000012 BFGS: 167 18:30:07 -873.123455 0.000017 BFGS: 168 18:30:07 -873.123455 0.000019 BFGS: 169 18:30:08 -873.123455 0.000016 BFGS: 170 18:30:09 -873.123455 0.000011 BFGS: 171 18:30:09 -873.123455 0.000006 BFGS: 172 18:30:10 -873.123455 0.000005 BFGS: 173 18:30:11 -873.123455 0.000003 BFGS: 174 18:30:11 -873.123455 0.000003 BFGS: 175 18:30:12 -873.123455 0.000003 BFGS: 176 18:30:13 -873.123455 0.000003 BFGS: 177 18:30:14 -873.123455 0.000002 BFGS: 178 18:30:14 -873.123455 0.000002 BFGS: 179 18:30:15 -873.123455 0.000001 BFGS: 180 18:30:16 -873.123455 0.000001 BFGS: 181 18:30:17 -873.123455 0.000001 BFGS: 182 18:30:17 -873.123455 0.000001 BFGS: 183 18:30:18 -873.123455 0.000001 BFGS: 184 18:30:19 -873.123455 0.000001 BFGS: 185 18:30:19 -873.123455 0.000001 BFGS: 186 18:30:20 -873.123455 0.000001 BFGS: 187 18:30:21 -873.123455 0.000001 BFGS: 188 18:30:21 -873.123455 0.000001 BFGS: 189 18:30:22 -873.123455 0.000001 BFGS: 190 18:30:23 -873.123455 0.000001 BFGS: 191 18:30:23 -873.123455 0.000001 BFGS: 192 18:30:24 -873.123455 0.000001 BFGS: 193 18:30:25 -873.123455 0.000001 BFGS: 194 18:30:25 -873.123455 0.000002 BFGS: 195 18:30:26 -873.123455 0.000002 BFGS: 196 18:30:27 -873.123455 0.000001 BFGS: 197 18:30:27 -873.123455 0.000001 BFGS: 198 18:30:28 -873.123455 0.000001 BFGS: 199 18:30:29 -873.123455 0.000001 BFGS: 200 18:30:30 -873.123455 0.000001 BFGS: 201 18:30:30 -873.123455 0.000001 BFGS: 202 18:30:31 -873.123455 0.000001 BFGS: 203 18:30:32 -873.123455 0.000001 BFGS: 204 18:30:32 -873.123455 0.000000 BFGS: 205 18:30:33 -873.123455 0.000000 BFGS: 206 18:30:34 -873.123455 0.000000 BFGS: 207 18:30:34 -873.123455 0.000000 BFGS: 208 18:30:35 -873.123455 0.000000 BFGS: 209 18:30:36 -873.123455 0.000000 BFGS: 210 18:30:36 -873.123455 0.000000 BFGS: 211 18:30:37 -873.123455 0.000000 BFGS: 212 18:30:38 -873.123455 0.000000 BFGS: 213 18:30:38 -873.123455 0.000000 BFGS: 214 18:30:39 -873.123455 0.000000 BFGS: 215 18:30:40 -873.123455 0.000000 BFGS: 216 18:30:40 -873.123455 0.000000 BFGS: 217 18:30:41 -873.123455 0.000000 BFGS: 218 18:30:42 -873.123455 0.000000 BFGS: 219 18:30:42 -873.123455 0.000000 BFGS: 220 18:30:43 -873.123455 0.000000 BFGS: 221 18:30:44 -873.123455 0.000000 BFGS: 222 18:30:44 -873.123455 0.000000 BFGS: 223 18:30:45 -873.123455 0.000000 BFGS: 224 18:30:45 -873.123455 0.000000 BFGS: 225 18:30:46 -873.123455 0.000000 BFGS: 226 18:30:47 -873.123455 0.000000 BFGS: 227 18:30:47 -873.123455 0.000000 BFGS: 228 18:30:48 -873.123455 0.000000 BFGS: 229 18:30:49 -873.123455 0.000000 BFGS: 230 18:30:49 -873.123455 0.000000 BFGS: 231 18:30:50 -873.123455 0.000000 BFGS: 232 18:30:50 -873.123455 0.000000 BFGS: 233 18:30:51 -873.123455 0.000000 BFGS: 234 18:30:52 -873.123455 0.000000 BFGS: 235 18:30:52 -873.123455 0.000000 BFGS: 236 18:30:53 -873.123455 0.000000 BFGS: 237 18:30:53 -873.123455 0.000000 BFGS: 238 18:30:54 -873.123455 0.000000 Minimization converged after 238 steps. Maximum force component: 8.36897578342967e-09 eV/Angstrom Maximum stress component: 3.080386105661013e-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 = [[2.93680541e-17 4.97985059e-01 2.50000000e-01] [5.00000000e-01 9.97985059e-01 2.50000000e-01] [0.00000000e+00 5.02014941e-01 7.50000000e-01] [5.00000000e-01 2.01494099e-03 7.50000000e-01] [3.09261956e-01 9.64621128e-01 6.02280987e-01] [6.90738044e-01 9.64621128e-01 8.97719013e-01] [8.09261956e-01 4.64621128e-01 6.02280987e-01] [1.90738044e-01 4.64621128e-01 8.97719013e-01] [6.90738044e-01 3.53788719e-02 3.97719013e-01] [3.09261956e-01 3.53788719e-02 1.02280987e-01] [1.90738044e-01 5.35378872e-01 3.97719013e-01] [8.09261956e-01 5.35378872e-01 1.02280987e-01] [1.47848734e-01 6.55974837e-02 8.01737929e-01] [8.52151266e-01 6.55974837e-02 6.98262071e-01] [6.47848734e-01 5.65597484e-01 8.01737929e-01] [3.52151266e-01 5.65597484e-01 6.98262071e-01] [8.52151266e-01 9.34402516e-01 1.98262071e-01] [1.47848734e-01 9.34402516e-01 3.01737929e-01] [3.52151266e-01 4.34402516e-01 1.98262071e-01] [6.47848734e-01 4.34402516e-01 3.01737929e-01] [1.47816999e-01 9.32517475e-01 6.75632406e-01] [8.52183001e-01 9.32517475e-01 8.24367594e-01] [6.47816999e-01 4.32517475e-01 6.75632406e-01] [3.52183001e-01 4.32517475e-01 8.24367594e-01] [8.52183001e-01 6.74825255e-02 3.24367594e-01] [1.47816999e-01 6.74825255e-02 1.75632406e-01] [3.52183001e-01 5.67482525e-01 3.24367594e-01] [6.47816999e-01 5.67482525e-01 1.75632406e-01] [9.08250909e-02 9.58150625e-01 4.98299804e-01] [9.09174909e-01 9.58150625e-01 1.70019557e-03] [5.90825091e-01 4.58150625e-01 4.98299804e-01] [4.09174909e-01 4.58150625e-01 1.70019557e-03] [9.09174909e-01 4.18493749e-02 5.01700196e-01] [9.08250909e-02 4.18493749e-02 9.98299804e-01] [4.09174909e-01 5.41849375e-01 5.01700196e-01] [5.90825091e-01 5.41849375e-01 9.98299804e-01] [6.07616545e-01 3.14407781e-01 8.04025182e-01] [3.92383455e-01 3.14407781e-01 6.95974818e-01] [1.07616545e-01 8.14407781e-01 8.04025182e-01] [8.92383455e-01 8.14407781e-01 6.95974818e-01] [3.92383455e-01 6.85592219e-01 1.95974818e-01] [6.07616545e-01 6.85592219e-01 3.04025182e-01] [8.92383455e-01 1.85592219e-01 1.95974818e-01] [1.07616545e-01 1.85592219e-01 3.04025182e-01] [5.40743223e-01 2.46202002e-01 6.82466265e-01] [4.59256777e-01 2.46202002e-01 8.17533735e-01] [4.07432232e-02 7.46202002e-01 6.82466265e-01] [9.59256777e-01 7.46202002e-01 8.17533735e-01] [4.59256777e-01 7.53797998e-01 3.17533735e-01] [5.40743223e-01 7.53797998e-01 1.82466265e-01] [9.59256777e-01 2.53797998e-01 3.17533735e-01] [4.07432232e-02 2.53797998e-01 1.82466265e-01] [7.72960307e-01 1.31632575e-01 6.36310919e-01] [2.27039693e-01 1.31632575e-01 8.63689081e-01] [2.72960307e-01 6.31632575e-01 6.36310919e-01] [7.27039693e-01 6.31632575e-01 8.63689081e-01] [2.27039693e-01 8.68367425e-01 3.63689081e-01] [7.72960307e-01 8.68367425e-01 1.36310919e-01] [7.27039693e-01 3.68367425e-01 3.63689081e-01] [2.72960307e-01 3.68367425e-01 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1.28929920e-09] [ 4.83592188e-10 -2.97245464e-09 -1.28929920e-09] [-4.83592188e-10 -2.97245464e-09 1.28929920e-09] [ 4.83592188e-10 -2.97245464e-09 -1.28929920e-09] [ 4.83592188e-10 2.97245464e-09 -1.28929920e-09] [-4.83592188e-10 2.97245464e-09 1.28929920e-09] [ 4.83592188e-10 2.97245464e-09 -1.28929920e-09] [-4.83592188e-10 2.97245464e-09 1.28929920e-09] [ 1.54077897e-09 1.18890395e-09 -1.38841449e-09] [-1.54077897e-09 1.18890395e-09 1.38841449e-09] [ 1.54077897e-09 1.18890395e-09 -1.38841449e-09] [-1.54077897e-09 1.18890395e-09 1.38841449e-09] [-1.54077897e-09 -1.18890395e-09 1.38841449e-09] [ 1.54077897e-09 -1.18890395e-09 -1.38841449e-09] [-1.54077897e-09 -1.18890395e-09 1.38841449e-09] [ 1.54077897e-09 -1.18890395e-09 -1.38841449e-09] [ 2.63037062e-09 2.48122199e-09 6.30724830e-11] [-2.63037062e-09 2.48122199e-09 -6.30724830e-11] [ 2.63037062e-09 2.48122199e-09 6.30724830e-11] [-2.63037062e-09 2.48122199e-09 -6.30724830e-11] [-2.63037062e-09 -2.48122199e-09 -6.30724830e-11] [ 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7.97091518e-09 1.57932744e-10] [ 3.16276046e-09 7.97091518e-09 -1.57932744e-10] [-3.16276046e-09 7.97091518e-09 1.57932744e-10] [-3.16276046e-09 -7.97091518e-09 1.57932744e-10] [ 3.16276046e-09 -7.97091518e-09 -1.57932744e-10] [-3.16276046e-09 -7.97091518e-09 1.57932744e-10] [ 3.16276046e-09 -7.97091518e-09 -1.57932744e-10] [-2.05667807e-09 -4.20444402e-09 -5.34562181e-09] [ 2.05667807e-09 -4.20444402e-09 5.34562181e-09] [-2.05667807e-09 -4.20444402e-09 -5.34562181e-09] [ 2.05667807e-09 -4.20444402e-09 5.34562181e-09] [ 2.05667807e-09 4.20444402e-09 5.34562181e-09] [-2.05667807e-09 4.20444402e-09 -5.34562181e-09] [ 2.05667807e-09 4.20444402e-09 5.34562181e-09] [-2.05667807e-09 4.20444402e-09 -5.34562181e-09] [ 3.86217782e-09 1.76257025e-09 7.54778143e-10] [-3.86217782e-09 1.76257025e-09 -7.54778143e-10] [ 3.86217782e-09 1.76257025e-09 7.54778143e-10] [-3.86217782e-09 1.76257025e-09 -7.54778143e-10] [-3.86217782e-09 -1.76257025e-09 -7.54778143e-10] [ 3.86217782e-09 -1.76257025e-09 7.54778143e-10] [-3.86217782e-09 -1.76257025e-09 -7.54778143e-10] [ 3.86217782e-09 -1.76257025e-09 7.54778143e-10] [-9.38418959e-10 -3.23651471e-09 -4.59132510e-09] [ 9.38418959e-10 -3.23651471e-09 4.59132510e-09] [-9.38418959e-10 -3.23651471e-09 -4.59132510e-09] [ 9.38418959e-10 -3.23651471e-09 4.59132510e-09] [ 9.38418959e-10 3.23651471e-09 4.59132510e-09] [-9.38418959e-10 3.23651471e-09 -4.59132510e-09] [ 9.38418959e-10 3.23651471e-09 4.59132510e-09] [-9.38418959e-10 3.23651471e-09 -4.59132510e-09] [-4.17649635e-09 -5.47134042e-10 2.67042906e-09] [ 4.17649635e-09 -5.47134042e-10 -2.67042906e-09] [-4.17649635e-09 -5.47134042e-10 2.67042906e-09] [ 4.17649635e-09 -5.47134042e-10 -2.67042906e-09] [ 4.17649635e-09 5.47134042e-10 -2.67042906e-09] [-4.17649635e-09 5.47134042e-10 2.67042906e-09] [ 4.17649635e-09 5.47134042e-10 -2.67042906e-09] [-4.17649635e-09 5.47134042e-10 2.67042906e-09] [-3.79311785e-10 -8.36897578e-09 -2.98080197e-09] [ 3.79311785e-10 -8.36897578e-09 2.98080197e-09] [-3.79311785e-10 -8.36897578e-09 -2.98080197e-09] [ 3.79311785e-10 -8.36897578e-09 2.98080197e-09] [ 3.79311785e-10 8.36897578e-09 2.98080197e-09] [-3.79311785e-10 8.36897578e-09 -2.98080197e-09] [ 3.79311785e-10 8.36897578e-09 2.98080197e-09] [-3.79311785e-10 8.36897578e-09 -2.98080197e-09] [-4.07033536e-09 3.18326269e-10 -1.94590409e-09] [ 4.07033536e-09 3.18326269e-10 1.94590409e-09] [-4.07033536e-09 3.18326269e-10 -1.94590409e-09] [ 4.07033536e-09 3.18326269e-10 1.94590409e-09] [ 4.07033536e-09 -3.18326269e-10 1.94590409e-09] [-4.07033536e-09 -3.18326269e-10 -1.94590409e-09] [ 4.07033536e-09 -3.18326269e-10 1.94590409e-09] [-4.07033536e-09 -3.18326269e-10 -1.94590409e-09] [ 8.45312146e-10 3.78359246e-09 1.09177478e-09] [-8.45312146e-10 3.78359246e-09 -1.09177478e-09] [ 8.45312146e-10 3.78359246e-09 1.09177478e-09] [-8.45312146e-10 3.78359246e-09 -1.09177478e-09] [-8.45312146e-10 -3.78359246e-09 -1.09177478e-09] [ 8.45312146e-10 -3.78359246e-09 1.09177478e-09] [-8.45312146e-10 -3.78359246e-09 -1.09177478e-09] [ 8.45312146e-10 -3.78359246e-09 1.09177478e-09] [ 1.40494013e-09 3.45394570e-09 4.42926565e-11] [-1.40494013e-09 3.45394570e-09 -4.42926565e-11] [ 1.40494013e-09 3.45394570e-09 4.42926565e-11] [-1.40494013e-09 3.45394570e-09 -4.42926565e-11] [-1.40494013e-09 -3.45394570e-09 -4.42926565e-11] [ 1.40494013e-09 -3.45394570e-09 4.42926565e-11] [-1.40494013e-09 -3.45394570e-09 -4.42926565e-11] [ 1.40494013e-09 -3.45394570e-09 4.42926565e-11] [-5.15161481e-09 -4.78056912e-09 1.57551265e-09] [ 5.15161481e-09 -4.78056912e-09 -1.57551265e-09] [-5.15161481e-09 -4.78056912e-09 1.57551265e-09] [ 5.15161481e-09 -4.78056912e-09 -1.57551265e-09] [ 5.15161481e-09 4.78056912e-09 -1.57551265e-09] [-5.15161481e-09 4.78056912e-09 1.57551265e-09] [ 5.15161481e-09 4.78056912e-09 -1.57551265e-09] [-5.15161481e-09 4.78056912e-09 1.57551265e-09] [ 2.90258161e-10 5.81008017e-09 6.26277097e-09] [-2.90258161e-10 5.81008017e-09 -6.26277097e-09] [ 2.90258161e-10 5.81008017e-09 6.26277097e-09] [-2.90258161e-10 5.81008017e-09 -6.26277097e-09] [-2.90258161e-10 -5.81008017e-09 -6.26277097e-09] [ 2.90258161e-10 -5.81008017e-09 6.26277097e-09] [-2.90258161e-10 -5.81008017e-09 -6.26277097e-09] [ 2.90258161e-10 -5.81008017e-09 6.26277097e-09]] stress = [-3.08038611e-11 8.75562920e-12 1.63160546e-11 -4.80477545e-33 2.40947887e-11 6.67648508e-33] energy per atom = -2.160678659220932 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0