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_JustoBazantKaxiras_1998_Si__MO_958932894036_002 ==== 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 16:09:12 -737.982801 0.7404 BFGS: 1 16:09:12 -738.279045 0.5414 BFGS: 2 16:09:13 -738.689356 0.4464 BFGS: 3 16:09:13 -738.794020 0.4425 BFGS: 4 16:09:13 -739.026828 0.3271 BFGS: 5 16:09:13 -739.087998 0.2221 BFGS: 6 16:09:13 -739.149687 0.1831 BFGS: 7 16:09:13 -739.181235 0.1711 BFGS: 8 16:09:13 -739.213201 0.1645 BFGS: 9 16:09:13 -739.226746 0.1675 BFGS: 10 16:09:13 -739.244646 0.1724 BFGS: 11 16:09:13 -739.265240 0.1757 BFGS: 12 16:09:13 -739.288625 0.1748 BFGS: 13 16:09:13 -739.309440 0.1696 BFGS: 14 16:09:13 -739.328579 0.1623 BFGS: 15 16:09:13 -739.346344 0.1562 BFGS: 16 16:09:13 -739.363284 0.1543 BFGS: 17 16:09:13 -739.378303 0.1596 BFGS: 18 16:09:13 -739.390945 0.1652 BFGS: 19 16:09:13 -739.401885 0.1703 BFGS: 20 16:09:13 -739.411804 0.1738 BFGS: 21 16:09:13 -739.421335 0.1743 BFGS: 22 16:09:13 -739.432283 0.1715 BFGS: 23 16:09:13 -739.446637 0.1660 BFGS: 24 16:09:14 -739.462068 0.1606 BFGS: 25 16:09:14 -739.476598 0.1570 BFGS: 26 16:09:14 -739.488720 0.1551 BFGS: 27 16:09:14 -739.500821 0.1540 BFGS: 28 16:09:14 -739.509725 0.1532 BFGS: 29 16:09:14 -739.521714 0.1522 BFGS: 30 16:09:14 -739.531497 0.1504 BFGS: 31 16:09:14 -739.543685 0.1474 BFGS: 32 16:09:14 -739.555411 0.1435 BFGS: 33 16:09:14 -739.566731 0.1390 BFGS: 34 16:09:14 -739.577173 0.1344 BFGS: 35 16:09:14 -739.587081 0.1298 BFGS: 36 16:09:14 -739.596576 0.1254 BFGS: 37 16:09:14 -739.605838 0.1212 BFGS: 38 16:09:14 -739.614928 0.1171 BFGS: 39 16:09:15 -739.623917 0.1131 BFGS: 40 16:09:15 -739.632821 0.1093 BFGS: 41 16:09:15 -739.641665 0.1056 BFGS: 42 16:09:15 -739.650449 0.1019 BFGS: 43 16:09:15 -739.659168 0.0983 BFGS: 44 16:09:15 -739.667808 0.0948 BFGS: 45 16:09:15 -739.676354 0.0912 BFGS: 46 16:09:15 -739.684790 0.0891 BFGS: 47 16:09:15 -739.693103 0.0915 BFGS: 48 16:09:16 -739.701282 0.0932 BFGS: 49 16:09:16 -739.709322 0.0944 BFGS: 50 16:09:16 -739.717219 0.0952 BFGS: 51 16:09:16 -739.724974 0.0957 BFGS: 52 16:09:16 -739.732593 0.0958 BFGS: 53 16:09:16 -739.740080 0.0957 BFGS: 54 16:09:16 -739.747445 0.0954 BFGS: 55 16:09:16 -739.754697 0.0947 BFGS: 56 16:09:17 -739.761843 0.0938 BFGS: 57 16:09:17 -739.768892 0.0925 BFGS: 58 16:09:17 -739.775852 0.0909 BFGS: 59 16:09:17 -739.782727 0.0888 BFGS: 60 16:09:17 -739.789521 0.0862 BFGS: 61 16:09:17 -739.796236 0.0830 BFGS: 62 16:09:17 -739.802870 0.0793 BFGS: 63 16:09:17 -739.809419 0.0749 BFGS: 64 16:09:18 -739.815880 0.0698 BFGS: 65 16:09:18 -739.822244 0.0639 BFGS: 66 16:09:18 -739.828507 0.0597 BFGS: 67 16:09:18 -739.834663 0.0581 BFGS: 68 16:09:18 -739.840720 0.0556 BFGS: 69 16:09:18 -739.846709 0.0520 BFGS: 70 16:09:18 -739.852731 0.0470 BFGS: 71 16:09:18 -739.859122 0.0482 BFGS: 72 16:09:18 -739.863868 0.0467 BFGS: 73 16:09:18 -739.870593 0.0460 BFGS: 74 16:09:18 -739.874910 0.0432 BFGS: 75 16:09:18 -739.877922 0.0390 BFGS: 76 16:09:18 -739.880846 0.0382 BFGS: 77 16:09:18 -739.883824 0.0358 BFGS: 78 16:09:18 -739.885951 0.0342 BFGS: 79 16:09:19 -739.887764 0.0329 BFGS: 80 16:09:19 -739.889320 0.0316 BFGS: 81 16:09:19 -739.890728 0.0296 BFGS: 82 16:09:19 -739.891870 0.0298 BFGS: 83 16:09:19 -739.893223 0.0292 BFGS: 84 16:09:19 -739.894505 0.0278 BFGS: 85 16:09:19 -739.895222 0.0257 BFGS: 86 16:09:19 -739.895677 0.0247 BFGS: 87 16:09:19 -739.896330 0.0237 BFGS: 88 16:09:19 -739.897428 0.0223 BFGS: 89 16:09:19 -739.898699 0.0211 BFGS: 90 16:09:19 -739.899612 0.0207 BFGS: 91 16:09:19 -739.900095 0.0209 BFGS: 92 16:09:19 -739.900439 0.0211 BFGS: 93 16:09:19 -739.900799 0.0212 BFGS: 94 16:09:19 -739.901126 0.0210 BFGS: 95 16:09:19 -739.901378 0.0207 BFGS: 96 16:09:19 -739.901613 0.0205 BFGS: 97 16:09:20 -739.901914 0.0204 BFGS: 98 16:09:20 -739.902299 0.0206 BFGS: 99 16:09:20 -739.902700 0.0212 BFGS: 100 16:09:20 -739.903058 0.0218 BFGS: 101 16:09:20 -739.903401 0.0222 BFGS: 102 16:09:20 -739.903784 0.0223 BFGS: 103 16:09:20 -739.904220 0.0220 BFGS: 104 16:09:20 -739.904650 0.0214 BFGS: 105 16:09:20 -739.905006 0.0207 BFGS: 106 16:09:20 -739.905282 0.0202 BFGS: 107 16:09:20 -739.905510 0.0200 BFGS: 108 16:09:21 -739.905723 0.0199 BFGS: 109 16:09:21 -739.905935 0.0199 BFGS: 110 16:09:21 -739.906150 0.0199 BFGS: 111 16:09:21 -739.906371 0.0198 BFGS: 112 16:09:21 -739.906607 0.0196 BFGS: 113 16:09:21 -739.906867 0.0193 BFGS: 114 16:09:21 -739.907145 0.0190 BFGS: 115 16:09:21 -739.907426 0.0187 BFGS: 116 16:09:22 -739.907707 0.0184 BFGS: 117 16:09:22 -739.907999 0.0180 BFGS: 118 16:09:22 -739.908305 0.0176 BFGS: 119 16:09:22 -739.908604 0.0171 BFGS: 120 16:09:22 -739.908881 0.0167 BFGS: 121 16:09:22 -739.909156 0.0163 BFGS: 122 16:09:22 -739.909453 0.0158 BFGS: 123 16:09:22 -739.909748 0.0153 BFGS: 124 16:09:23 -739.909987 0.0148 BFGS: 125 16:09:23 -739.910173 0.0144 BFGS: 126 16:09:23 -739.910373 0.0138 BFGS: 127 16:09:23 -739.910668 0.0128 BFGS: 128 16:09:23 -739.911114 0.0157 BFGS: 129 16:09:23 -739.911692 0.0185 BFGS: 130 16:09:24 -739.912257 0.0170 BFGS: 131 16:09:24 -739.912652 0.0117 BFGS: 132 16:09:24 -739.912867 0.0082 BFGS: 133 16:09:24 -739.912992 0.0074 BFGS: 134 16:09:25 -739.913101 0.0088 BFGS: 135 16:09:25 -739.913243 0.0113 BFGS: 136 16:09:25 -739.913445 0.0128 BFGS: 137 16:09:25 -739.913682 0.0115 BFGS: 138 16:09:26 -739.913870 0.0083 BFGS: 139 16:09:26 -739.913974 0.0078 BFGS: 140 16:09:26 -739.914042 0.0075 BFGS: 141 16:09:26 -739.914114 0.0067 BFGS: 142 16:09:27 -739.914202 0.0075 BFGS: 143 16:09:27 -739.914294 0.0079 BFGS: 144 16:09:28 -739.914375 0.0055 BFGS: 145 16:09:29 -739.914436 0.0056 BFGS: 146 16:09:29 -739.914482 0.0051 BFGS: 147 16:09:29 -739.914517 0.0042 BFGS: 148 16:09:30 -739.914552 0.0038 BFGS: 149 16:09:30 -739.914588 0.0042 BFGS: 150 16:09:30 -739.914625 0.0047 BFGS: 151 16:09:31 -739.914653 0.0039 BFGS: 152 16:09:31 -739.914670 0.0033 BFGS: 153 16:09:31 -739.914679 0.0033 BFGS: 154 16:09:31 -739.914686 0.0034 BFGS: 155 16:09:32 -739.914691 0.0034 BFGS: 156 16:09:32 -739.914695 0.0035 BFGS: 157 16:09:32 -739.914699 0.0035 BFGS: 158 16:09:33 -739.914702 0.0035 BFGS: 159 16:09:33 -739.914705 0.0035 BFGS: 160 16:09:33 -739.914707 0.0035 BFGS: 161 16:09:34 -739.914710 0.0034 BFGS: 162 16:09:34 -739.914712 0.0034 BFGS: 163 16:09:34 -739.914714 0.0034 BFGS: 164 16:09:34 -739.914717 0.0033 BFGS: 165 16:09:35 -739.914722 0.0033 BFGS: 166 16:09:35 -739.914730 0.0031 BFGS: 167 16:09:36 -739.914744 0.0037 BFGS: 168 16:09:36 -739.914763 0.0038 BFGS: 169 16:09:36 -739.914783 0.0031 BFGS: 170 16:09:37 -739.914801 0.0030 BFGS: 171 16:09:37 -739.914818 0.0033 BFGS: 172 16:09:37 -739.914834 0.0032 BFGS: 173 16:09:38 -739.914852 0.0035 BFGS: 174 16:09:38 -739.914870 0.0029 BFGS: 175 16:09:38 -739.914883 0.0027 BFGS: 176 16:09:39 -739.914889 0.0019 BFGS: 177 16:09:39 -739.914892 0.0019 BFGS: 178 16:09:39 -739.914894 0.0019 BFGS: 179 16:09:40 -739.914895 0.0019 BFGS: 180 16:09:40 -739.914896 0.0019 BFGS: 181 16:09:40 -739.914898 0.0019 BFGS: 182 16:09:40 -739.914899 0.0018 BFGS: 183 16:09:41 -739.914900 0.0018 BFGS: 184 16:09:42 -739.914901 0.0017 BFGS: 185 16:09:43 -739.914901 0.0017 BFGS: 186 16:09:43 -739.914902 0.0016 BFGS: 187 16:09:43 -739.914904 0.0014 BFGS: 188 16:09:44 -739.914906 0.0015 BFGS: 189 16:09:44 -739.914909 0.0013 BFGS: 190 16:09:45 -739.914912 0.0010 BFGS: 191 16:09:45 -739.914913 0.0007 BFGS: 192 16:09:46 -739.914914 0.0006 BFGS: 193 16:09:46 -739.914914 0.0006 BFGS: 194 16:09:46 -739.914915 0.0005 BFGS: 195 16:09:47 -739.914916 0.0006 BFGS: 196 16:09:47 -739.914916 0.0007 BFGS: 197 16:09:48 -739.914917 0.0005 BFGS: 198 16:09:49 -739.914917 0.0005 BFGS: 199 16:09:49 -739.914918 0.0004 BFGS: 200 16:09:50 -739.914918 0.0004 BFGS: 201 16:09:50 -739.914918 0.0004 BFGS: 202 16:09:51 -739.914919 0.0004 BFGS: 203 16:09:51 -739.914919 0.0003 BFGS: 204 16:09:52 -739.914919 0.0001 BFGS: 205 16:09:52 -739.914919 0.0001 BFGS: 206 16:09:53 -739.914919 0.0001 BFGS: 207 16:09:53 -739.914919 0.0000 BFGS: 208 16:09:54 -739.914919 0.0000 BFGS: 209 16:09:54 -739.914919 0.0000 BFGS: 210 16:09:54 -739.914919 0.0000 BFGS: 211 16:09:55 -739.914919 0.0000 BFGS: 212 16:09:55 -739.914919 0.0000 BFGS: 213 16:09:56 -739.914919 0.0000 BFGS: 214 16:09:56 -739.914919 0.0000 BFGS: 215 16:09:57 -739.914919 0.0000 BFGS: 216 16:09:57 -739.914919 0.0000 BFGS: 217 16:09:58 -739.914919 0.0000 BFGS: 218 16:09:58 -739.914919 0.0000 BFGS: 219 16:09:58 -739.914919 0.0000 BFGS: 220 16:09:59 -739.914919 0.0000 BFGS: 221 16:09:59 -739.914919 0.0000 BFGS: 222 16:10:00 -739.914919 0.0000 BFGS: 223 16:10:00 -739.914919 0.0000 BFGS: 224 16:10:01 -739.914919 0.0000 BFGS: 225 16:10:02 -739.914919 0.0000 BFGS: 226 16:10:02 -739.914919 0.0000 BFGS: 227 16:10:03 -739.914919 0.0000 BFGS: 228 16:10:03 -739.914919 0.0000 BFGS: 229 16:10:04 -739.914919 0.0000 BFGS: 230 16:10:05 -739.914919 0.0000 BFGS: 231 16:10:05 -739.914919 0.0000 BFGS: 232 16:10:06 -739.914919 0.0000 Minimization converged after 232 steps. Maximum force component: 5.779893324370235e-09 eV/Angstrom Maximum stress component: 1.8249679321977766e-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 = [[0.00000000e+00 5.00388498e-01 2.50000000e-01] [5.00000000e-01 3.88497655e-04 2.50000000e-01] [1.00000000e+00 4.99611502e-01 7.50000000e-01] [5.00000000e-01 9.99611502e-01 7.50000000e-01] [3.07939373e-01 9.64151337e-01 5.89925078e-01] [6.92060627e-01 9.64151337e-01 9.10074922e-01] [8.07939373e-01 4.64151337e-01 5.89925078e-01] [1.92060627e-01 4.64151337e-01 9.10074922e-01] [6.92060627e-01 3.58486625e-02 4.10074922e-01] [3.07939373e-01 3.58486625e-02 8.99250785e-02] [1.92060627e-01 5.35848663e-01 4.10074922e-01] [8.07939373e-01 5.35848663e-01 8.99250785e-02] [1.44170688e-01 6.55925881e-02 7.96298236e-01] [8.55829312e-01 6.55925881e-02 7.03701764e-01] [6.44170688e-01 5.65592588e-01 7.96298236e-01] [3.55829312e-01 5.65592588e-01 7.03701764e-01] [8.55829312e-01 9.34407412e-01 2.03701764e-01] [1.44170688e-01 9.34407412e-01 2.96298236e-01] [3.55829312e-01 4.34407412e-01 2.03701764e-01] [6.44170688e-01 4.34407412e-01 2.96298236e-01] [1.45684786e-01 9.31404666e-01 6.69846690e-01] [8.54315214e-01 9.31404666e-01 8.30153310e-01] [6.45684786e-01 4.31404666e-01 6.69846690e-01] [3.54315214e-01 4.31404666e-01 8.30153310e-01] [8.54315214e-01 6.85953339e-02 3.30153310e-01] [1.45684786e-01 6.85953339e-02 1.69846690e-01] [3.54315214e-01 5.68595334e-01 3.30153310e-01] [6.45684786e-01 5.68595334e-01 1.69846690e-01] [9.09196128e-02 9.57592518e-01 4.92234375e-01] [9.09080387e-01 9.57592518e-01 7.76562527e-03] [5.90919613e-01 4.57592518e-01 4.92234375e-01] [4.09080387e-01 4.57592518e-01 7.76562527e-03] [9.09080387e-01 4.24074818e-02 5.07765625e-01] [9.09196128e-02 4.24074818e-02 9.92234375e-01] [4.09080387e-01 5.42407482e-01 5.07765625e-01] [5.90919613e-01 5.42407482e-01 9.92234375e-01] [6.06499573e-01 3.16054099e-01 8.02475005e-01] [3.93500427e-01 3.16054099e-01 6.97524995e-01] [1.06499573e-01 8.16054099e-01 8.02475005e-01] [8.93500427e-01 8.16054099e-01 6.97524995e-01] [3.93500427e-01 6.83945901e-01 1.97524995e-01] [6.06499573e-01 6.83945901e-01 3.02475005e-01] [8.93500427e-01 1.83945901e-01 1.97524995e-01] [1.06499573e-01 1.83945901e-01 3.02475005e-01] [5.39210849e-01 2.47235645e-01 6.81180597e-01] [4.60789151e-01 2.47235645e-01 8.18819403e-01] [3.92108493e-02 7.47235645e-01 6.81180597e-01] [9.60789151e-01 7.47235645e-01 8.18819403e-01] [4.60789151e-01 7.52764355e-01 3.18819403e-01] [5.39210849e-01 7.52764355e-01 1.81180597e-01] [9.60789151e-01 2.52764355e-01 3.18819403e-01] [3.92108493e-02 2.52764355e-01 1.81180597e-01] [7.75416082e-01 1.26550297e-01 6.42810075e-01] [2.24583918e-01 1.26550297e-01 8.57189925e-01] [2.75416082e-01 6.26550297e-01 6.42810075e-01] [7.24583918e-01 6.26550297e-01 8.57189925e-01] [2.24583918e-01 8.73449703e-01 3.57189925e-01] [7.75416082e-01 8.73449703e-01 1.42810075e-01] [7.24583918e-01 3.73449703e-01 3.57189925e-01] [2.75416082e-01 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1.26392311e-09 1.48180420e-09] [ 2.10471709e-09 1.26392311e-09 -1.48180420e-09] [-2.10471709e-09 1.26392311e-09 1.48180420e-09] [ 1.58218328e-10 9.66299482e-10 -4.35017975e-09] [-1.58218328e-10 9.66299482e-10 4.35017975e-09] [ 1.58218328e-10 9.66299482e-10 -4.35017975e-09] [-1.58218328e-10 9.66299482e-10 4.35017975e-09] [-1.58218328e-10 -9.66299482e-10 4.35017975e-09] [ 1.58218328e-10 -9.66299482e-10 -4.35017975e-09] [-1.58218328e-10 -9.66299482e-10 4.35017975e-09] [ 1.58218328e-10 -9.66299482e-10 -4.35017975e-09] [-1.18877847e-09 -1.37367043e-09 -1.43842106e-09] [ 1.18877847e-09 -1.37367043e-09 1.43842106e-09] [-1.18877847e-09 -1.37367043e-09 -1.43842106e-09] [ 1.18877847e-09 -1.37367043e-09 1.43842106e-09] [ 1.18877847e-09 1.37367043e-09 1.43842106e-09] [-1.18877847e-09 1.37367043e-09 -1.43842106e-09] [ 1.18877847e-09 1.37367043e-09 1.43842106e-09] [-1.18877847e-09 1.37367043e-09 -1.43842106e-09] [-2.18227395e-09 1.18306715e-09 -3.00628141e-09] [ 2.18227395e-09 1.18306715e-09 3.00628141e-09] [-2.18227395e-09 1.18306715e-09 -3.00628141e-09] [ 2.18227395e-09 1.18306715e-09 3.00628141e-09] [ 2.18227395e-09 -1.18306715e-09 3.00628141e-09] [-2.18227395e-09 -1.18306715e-09 -3.00628141e-09] [ 2.18227395e-09 -1.18306715e-09 3.00628141e-09] [-2.18227395e-09 -1.18306715e-09 -3.00628141e-09] [ 2.33146242e-09 -1.88071342e-09 3.72350609e-09] [-2.33146242e-09 -1.88071342e-09 -3.72350609e-09] [ 2.33146242e-09 -1.88071342e-09 3.72350609e-09] [-2.33146242e-09 -1.88071342e-09 -3.72350609e-09] [-2.33146242e-09 1.88071342e-09 -3.72350609e-09] [ 2.33146242e-09 1.88071342e-09 3.72350609e-09] [-2.33146242e-09 1.88071342e-09 -3.72350609e-09] [ 2.33146242e-09 1.88071342e-09 3.72350609e-09] [-7.94992330e-10 2.26792704e-10 2.21182686e-09] [ 7.94992330e-10 2.26792704e-10 -2.21182686e-09] [-7.94992330e-10 2.26792704e-10 2.21182686e-09] [ 7.94992330e-10 2.26792704e-10 -2.21182686e-09] [ 7.94992330e-10 -2.26792704e-10 -2.21182686e-09] [-7.94992330e-10 -2.26792704e-10 2.21182686e-09] [ 7.94992330e-10 -2.26792704e-10 -2.21182686e-09] [-7.94992330e-10 -2.26792704e-10 2.21182686e-09] [-6.77567882e-10 -1.24895753e-09 3.33449713e-09] [ 6.77567882e-10 -1.24895753e-09 -3.33449713e-09] [-6.77567882e-10 -1.24895753e-09 3.33449713e-09] [ 6.77567882e-10 -1.24895753e-09 -3.33449713e-09] [ 6.77567882e-10 1.24895753e-09 -3.33449713e-09] [-6.77567882e-10 1.24895753e-09 3.33449713e-09] [ 6.77567882e-10 1.24895753e-09 -3.33449713e-09] [-6.77567882e-10 1.24895753e-09 3.33449713e-09] [-1.48644278e-09 5.34663692e-10 -7.07286576e-10] [ 1.48644278e-09 5.34663692e-10 7.07286576e-10] [-1.48644278e-09 5.34663692e-10 -7.07286576e-10] [ 1.48644278e-09 5.34663692e-10 7.07286576e-10] [ 1.48644278e-09 -5.34663692e-10 7.07286576e-10] [-1.48644278e-09 -5.34663692e-10 -7.07286576e-10] [ 1.48644278e-09 -5.34663692e-10 7.07286576e-10] [-1.48644278e-09 -5.34663692e-10 -7.07286576e-10] [-1.57200332e-09 -2.75628872e-10 2.90673378e-09] [ 1.57200332e-09 -2.75628872e-10 -2.90673378e-09] [-1.57200332e-09 -2.75628872e-10 2.90673378e-09] [ 1.57200332e-09 -2.75628872e-10 -2.90673378e-09] [ 1.57200332e-09 2.75628872e-10 -2.90673378e-09] [-1.57200332e-09 2.75628872e-10 2.90673378e-09] [ 1.57200332e-09 2.75628872e-10 -2.90673378e-09] [-1.57200332e-09 2.75628872e-10 2.90673378e-09]] stress = [ 1.82496793e-11 -1.64425226e-11 -1.69597067e-11 -9.59487855e-32 4.79104299e-12 -5.00800017e-31] energy per atom = -4.5116763341132895 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0