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 09:36:16 -737.982801 0.740387 BFGS: 1 09:36:16 -738.279045 0.541408 BFGS: 2 09:36:16 -738.689356 0.446417 BFGS: 3 09:36:17 -738.794020 0.442486 BFGS: 4 09:36:17 -739.026828 0.327089 BFGS: 5 09:36:18 -739.087998 0.222077 BFGS: 6 09:36:19 -739.149687 0.183075 BFGS: 7 09:36:19 -739.181235 0.171068 BFGS: 8 09:36:20 -739.213201 0.164533 BFGS: 9 09:36:20 -739.226746 0.167524 BFGS: 10 09:36:21 -739.244646 0.172405 BFGS: 11 09:36:21 -739.265240 0.175657 BFGS: 12 09:36:22 -739.288625 0.174849 BFGS: 13 09:36:23 -739.309440 0.169570 BFGS: 14 09:36:23 -739.328579 0.162286 BFGS: 15 09:36:24 -739.346344 0.156201 BFGS: 16 09:36:25 -739.363284 0.154257 BFGS: 17 09:36:26 -739.378303 0.159599 BFGS: 18 09:36:27 -739.390945 0.165228 BFGS: 19 09:36:27 -739.401885 0.170318 BFGS: 20 09:36:28 -739.411804 0.173769 BFGS: 21 09:36:29 -739.421335 0.174315 BFGS: 22 09:36:31 -739.432283 0.171478 BFGS: 23 09:36:32 -739.446637 0.165955 BFGS: 24 09:36:33 -739.462068 0.160627 BFGS: 25 09:36:33 -739.476598 0.156979 BFGS: 26 09:36:34 -739.488720 0.155054 BFGS: 27 09:36:35 -739.500821 0.154016 BFGS: 28 09:36:36 -739.509725 0.153161 BFGS: 29 09:36:37 -739.521714 0.152212 BFGS: 30 09:36:38 -739.531497 0.150432 BFGS: 31 09:36:38 -739.543685 0.147432 BFGS: 32 09:36:39 -739.555411 0.143475 BFGS: 33 09:36:39 -739.566731 0.139006 BFGS: 34 09:36:40 -739.577173 0.134376 BFGS: 35 09:36:40 -739.587081 0.129824 BFGS: 36 09:36:41 -739.596576 0.125409 BFGS: 37 09:36:43 -739.605838 0.121170 BFGS: 38 09:36:43 -739.614928 0.117084 BFGS: 39 09:36:44 -739.623917 0.113140 BFGS: 40 09:36:45 -739.632821 0.109309 BFGS: 41 09:36:47 -739.641665 0.105574 BFGS: 42 09:36:48 -739.650449 0.101912 BFGS: 43 09:36:49 -739.659168 0.098309 BFGS: 44 09:36:50 -739.667808 0.094750 BFGS: 45 09:36:51 -739.676354 0.091227 BFGS: 46 09:36:52 -739.684790 0.089127 BFGS: 47 09:36:53 -739.693103 0.091508 BFGS: 48 09:36:53 -739.701282 0.093224 BFGS: 49 09:36:54 -739.709322 0.094420 BFGS: 50 09:36:55 -739.717219 0.095204 BFGS: 51 09:36:56 -739.724974 0.095656 BFGS: 52 09:36:57 -739.732593 0.095823 BFGS: 53 09:36:57 -739.740080 0.095728 BFGS: 54 09:36:58 -739.747445 0.095373 BFGS: 55 09:36:59 -739.754697 0.094742 BFGS: 56 09:37:00 -739.761843 0.093808 BFGS: 57 09:37:01 -739.768892 0.092531 BFGS: 58 09:37:02 -739.775852 0.090867 BFGS: 59 09:37:03 -739.782727 0.088765 BFGS: 60 09:37:05 -739.789521 0.086174 BFGS: 61 09:37:06 -739.796236 0.083036 BFGS: 62 09:37:07 -739.802870 0.079294 BFGS: 63 09:37:08 -739.809419 0.074890 BFGS: 64 09:37:09 -739.815880 0.069765 BFGS: 65 09:37:09 -739.822244 0.063865 BFGS: 66 09:37:10 -739.828507 0.059690 BFGS: 67 09:37:11 -739.834663 0.058127 BFGS: 68 09:37:12 -739.840720 0.055644 BFGS: 69 09:37:13 -739.846709 0.052049 BFGS: 70 09:37:14 -739.852731 0.046998 BFGS: 71 09:37:14 -739.859122 0.048237 BFGS: 72 09:37:16 -739.863868 0.046725 BFGS: 73 09:37:17 -739.870593 0.046009 BFGS: 74 09:37:18 -739.874910 0.043157 BFGS: 75 09:37:19 -739.877922 0.038983 BFGS: 76 09:37:20 -739.880846 0.038207 BFGS: 77 09:37:20 -739.883824 0.035755 BFGS: 78 09:37:22 -739.885951 0.034175 BFGS: 79 09:37:23 -739.887764 0.032935 BFGS: 80 09:37:24 -739.889320 0.031561 BFGS: 81 09:37:26 -739.890728 0.029612 BFGS: 82 09:37:27 -739.891870 0.029845 BFGS: 83 09:37:28 -739.893223 0.029221 BFGS: 84 09:37:29 -739.894505 0.027758 BFGS: 85 09:37:30 -739.895222 0.025705 BFGS: 86 09:37:31 -739.895677 0.024721 BFGS: 87 09:37:32 -739.896330 0.023652 BFGS: 88 09:37:33 -739.897428 0.022280 BFGS: 89 09:37:34 -739.898699 0.021085 BFGS: 90 09:37:35 -739.899612 0.020703 BFGS: 91 09:37:36 -739.900095 0.020902 BFGS: 92 09:37:37 -739.900439 0.021139 BFGS: 93 09:37:38 -739.900799 0.021213 BFGS: 94 09:37:39 -739.901126 0.021026 BFGS: 95 09:37:40 -739.901378 0.020721 BFGS: 96 09:37:41 -739.901613 0.020482 BFGS: 97 09:37:43 -739.901914 0.020406 BFGS: 98 09:37:44 -739.902299 0.020635 BFGS: 99 09:37:45 -739.902700 0.021169 BFGS: 100 09:37:45 -739.903058 0.021757 BFGS: 101 09:37:47 -739.903401 0.022173 BFGS: 102 09:37:48 -739.903784 0.022302 BFGS: 103 09:37:50 -739.904220 0.022043 BFGS: 104 09:37:50 -739.904650 0.021432 BFGS: 105 09:37:51 -739.905006 0.020743 BFGS: 106 09:37:53 -739.905282 0.020244 BFGS: 107 09:37:53 -739.905510 0.019990 BFGS: 108 09:37:54 -739.905723 0.019915 BFGS: 109 09:37:55 -739.905935 0.019919 BFGS: 110 09:37:56 -739.906150 0.019905 BFGS: 111 09:37:56 -739.906371 0.019805 BFGS: 112 09:37:57 -739.906607 0.019601 BFGS: 113 09:37:58 -739.906867 0.019314 BFGS: 114 09:37:59 -739.907145 0.018989 BFGS: 115 09:38:00 -739.907426 0.018670 BFGS: 116 09:38:02 -739.907707 0.018360 BFGS: 117 09:38:03 -739.907999 0.018017 BFGS: 118 09:38:04 -739.908305 0.017603 BFGS: 119 09:38:05 -739.908604 0.017142 BFGS: 120 09:38:06 -739.908881 0.016693 BFGS: 121 09:38:07 -739.909156 0.016260 BFGS: 122 09:38:08 -739.909453 0.015799 BFGS: 123 09:38:09 -739.909748 0.015306 BFGS: 124 09:38:10 -739.909987 0.014827 BFGS: 125 09:38:11 -739.910173 0.014363 BFGS: 126 09:38:14 -739.910373 0.013778 BFGS: 127 09:38:16 -739.910668 0.012829 BFGS: 128 09:38:17 -739.911114 0.015664 BFGS: 129 09:38:18 -739.911692 0.018510 BFGS: 130 09:38:19 -739.912257 0.017035 BFGS: 131 09:38:21 -739.912652 0.011707 BFGS: 132 09:38:22 -739.912867 0.008228 BFGS: 133 09:38:23 -739.912992 0.007356 BFGS: 134 09:38:24 -739.913101 0.008831 BFGS: 135 09:38:25 -739.913243 0.011336 BFGS: 136 09:38:26 -739.913445 0.012836 BFGS: 137 09:38:27 -739.913682 0.011499 BFGS: 138 09:38:29 -739.913870 0.008341 BFGS: 139 09:38:30 -739.913974 0.007780 BFGS: 140 09:38:31 -739.914042 0.007541 BFGS: 141 09:38:32 -739.914114 0.006688 BFGS: 142 09:38:33 -739.914202 0.007517 BFGS: 143 09:38:34 -739.914294 0.007888 BFGS: 144 09:38:35 -739.914375 0.005517 BFGS: 145 09:38:36 -739.914436 0.005639 BFGS: 146 09:38:38 -739.914482 0.005093 BFGS: 147 09:38:39 -739.914517 0.004199 BFGS: 148 09:38:40 -739.914552 0.003789 BFGS: 149 09:38:42 -739.914588 0.004152 BFGS: 150 09:38:43 -739.914625 0.004690 BFGS: 151 09:38:44 -739.914653 0.003933 BFGS: 152 09:38:45 -739.914670 0.003252 BFGS: 153 09:38:46 -739.914679 0.003280 BFGS: 154 09:38:47 -739.914686 0.003350 BFGS: 155 09:38:47 -739.914691 0.003431 BFGS: 156 09:38:48 -739.914695 0.003485 BFGS: 157 09:38:49 -739.914699 0.003505 BFGS: 158 09:38:50 -739.914702 0.003501 BFGS: 159 09:38:50 -739.914705 0.003481 BFGS: 160 09:38:52 -739.914707 0.003451 BFGS: 161 09:38:53 -739.914710 0.003423 BFGS: 162 09:38:53 -739.914712 0.003401 BFGS: 163 09:38:54 -739.914714 0.003378 BFGS: 164 09:38:55 -739.914717 0.003339 BFGS: 165 09:38:56 -739.914722 0.003255 BFGS: 166 09:38:56 -739.914730 0.003092 BFGS: 167 09:38:57 -739.914744 0.003703 BFGS: 168 09:38:58 -739.914763 0.003843 BFGS: 169 09:38:58 -739.914783 0.003058 BFGS: 170 09:38:59 -739.914801 0.003022 BFGS: 171 09:39:00 -739.914818 0.003268 BFGS: 172 09:39:01 -739.914834 0.003200 BFGS: 173 09:39:01 -739.914852 0.003539 BFGS: 174 09:39:02 -739.914870 0.002868 BFGS: 175 09:39:03 -739.914883 0.002749 BFGS: 176 09:39:04 -739.914889 0.001865 BFGS: 177 09:39:04 -739.914892 0.001885 BFGS: 178 09:39:05 -739.914894 0.001890 BFGS: 179 09:39:06 -739.914895 0.001891 BFGS: 180 09:39:07 -739.914896 0.001883 BFGS: 181 09:39:08 -739.914898 0.001859 BFGS: 182 09:39:09 -739.914899 0.001816 BFGS: 183 09:39:10 -739.914900 0.001762 BFGS: 184 09:39:10 -739.914901 0.001710 BFGS: 185 09:39:11 -739.914901 0.001653 BFGS: 186 09:39:12 -739.914902 0.001571 BFGS: 187 09:39:13 -739.914904 0.001438 BFGS: 188 09:39:13 -739.914906 0.001547 BFGS: 189 09:39:14 -739.914909 0.001328 BFGS: 190 09:39:15 -739.914912 0.001009 BFGS: 191 09:39:15 -739.914913 0.000685 BFGS: 192 09:39:16 -739.914914 0.000589 BFGS: 193 09:39:17 -739.914914 0.000559 BFGS: 194 09:39:18 -739.914915 0.000535 BFGS: 195 09:39:19 -739.914916 0.000608 BFGS: 196 09:39:20 -739.914916 0.000652 BFGS: 197 09:39:20 -739.914917 0.000502 BFGS: 198 09:39:21 -739.914917 0.000467 BFGS: 199 09:39:22 -739.914918 0.000396 BFGS: 200 09:39:23 -739.914918 0.000357 BFGS: 201 09:39:24 -739.914918 0.000387 BFGS: 202 09:39:25 -739.914919 0.000355 BFGS: 203 09:39:26 -739.914919 0.000252 BFGS: 204 09:39:27 -739.914919 0.000116 BFGS: 205 09:39:27 -739.914919 0.000079 BFGS: 206 09:39:28 -739.914919 0.000052 BFGS: 207 09:39:29 -739.914919 0.000045 BFGS: 208 09:39:30 -739.914919 0.000040 BFGS: 209 09:39:31 -739.914919 0.000046 BFGS: 210 09:39:32 -739.914919 0.000031 BFGS: 211 09:39:33 -739.914919 0.000018 BFGS: 212 09:39:34 -739.914919 0.000010 BFGS: 213 09:39:35 -739.914919 0.000008 BFGS: 214 09:39:36 -739.914919 0.000005 BFGS: 215 09:39:36 -739.914919 0.000005 BFGS: 216 09:39:37 -739.914919 0.000005 BFGS: 217 09:39:37 -739.914919 0.000006 BFGS: 218 09:39:38 -739.914919 0.000004 BFGS: 219 09:39:38 -739.914919 0.000002 BFGS: 220 09:39:39 -739.914919 0.000002 BFGS: 221 09:39:39 -739.914919 0.000001 BFGS: 222 09:39:41 -739.914919 0.000001 BFGS: 223 09:39:42 -739.914919 0.000001 BFGS: 224 09:39:43 -739.914919 0.000001 BFGS: 225 09:39:43 -739.914919 0.000001 BFGS: 226 09:39:45 -739.914919 0.000000 BFGS: 227 09:39:45 -739.914919 0.000000 BFGS: 228 09:39:46 -739.914919 0.000000 BFGS: 229 09:39:47 -739.914919 0.000000 BFGS: 230 09:39:48 -739.914919 0.000000 BFGS: 231 09:39:48 -739.914919 0.000000 BFGS: 232 09:39:49 -739.914919 0.000000 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 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Cell([[25.573619139213097, 5.0703632527326e-19, -0.0989413809126246], [3.130314368641334e-19, 14.898065618769495, -3.2115351048033654e-19], [0.7114968520424918, -9.884846666349096e-20, 10.044008146098498]]) forces = [[ 2.39347424e-29 1.04911005e-09 -2.26226945e-29] [ 2.07825504e-29 1.04911005e-09 -2.26104990e-29] [-2.45914904e-29 -1.04911005e-09 2.22537277e-29] [-2.33043040e-29 -1.04911005e-09 2.26202554e-29] [-1.32504796e-09 -5.50724031e-10 4.45661103e-10] [ 1.32504796e-09 -5.50724031e-10 -4.45661103e-10] [-1.32504796e-09 -5.50724031e-10 4.45661103e-10] [ 1.32504796e-09 -5.50724031e-10 -4.45661103e-10] [ 1.32504796e-09 5.50724031e-10 -4.45661103e-10] [-1.32504796e-09 5.50724031e-10 4.45661103e-10] [ 1.32504796e-09 5.50724031e-10 -4.45661103e-10] [-1.32504796e-09 5.50724031e-10 4.45661103e-10] [-9.01446920e-10 1.06008027e-09 -2.19771054e-10] [ 9.01446920e-10 1.06008027e-09 2.19771054e-10] [-9.01446920e-10 1.06008027e-09 -2.19771054e-10] [ 9.01446920e-10 1.06008027e-09 2.19771054e-10] [ 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2.76455604e-09] [-2.72510013e-09 2.73419981e-09 -2.76455604e-09] [ 2.72510013e-09 2.73419981e-09 2.76455604e-09] [-2.72510013e-09 2.73419981e-09 -2.76455604e-09] [-1.70501895e-09 4.66519311e-09 1.41105104e-09] [ 1.70501895e-09 4.66519311e-09 -1.41105104e-09] [-1.70501895e-09 4.66519311e-09 1.41105104e-09] [ 1.70501895e-09 4.66519311e-09 -1.41105104e-09] [ 1.70501895e-09 -4.66519311e-09 -1.41105104e-09] [-1.70501895e-09 -4.66519311e-09 1.41105104e-09] [ 1.70501895e-09 -4.66519311e-09 -1.41105104e-09] [-1.70501895e-09 -4.66519311e-09 1.41105104e-09] [ 2.03991347e-09 6.61625289e-10 -2.84471557e-09] [-2.03991347e-09 6.61625289e-10 2.84471557e-09] [ 2.03991347e-09 6.61625289e-10 -2.84471557e-09] [-2.03991347e-09 6.61625289e-10 2.84471557e-09] [-2.03991347e-09 -6.61625289e-10 2.84471557e-09] [ 2.03991347e-09 -6.61625289e-10 -2.84471557e-09] [-2.03991347e-09 -6.61625289e-10 2.84471557e-09] [ 2.03991347e-09 -6.61625289e-10 -2.84471557e-09] [ 2.64414175e-10 -6.28797422e-10 -2.21010761e-09] [-2.64414175e-10 -6.28797422e-10 2.21010761e-09] [ 2.64414175e-10 -6.28797422e-10 -2.21010761e-09] [-2.64414175e-10 -6.28797422e-10 2.21010761e-09] [-2.64414175e-10 6.28797422e-10 2.21010761e-09] [ 2.64414175e-10 6.28797422e-10 -2.21010761e-09] [-2.64414175e-10 6.28797422e-10 2.21010761e-09] [ 2.64414175e-10 6.28797422e-10 -2.21010761e-09] [ 1.45393344e-09 1.74277714e-09 2.16891259e-09] [-1.45393344e-09 1.74277714e-09 -2.16891259e-09] [ 1.45393344e-09 1.74277714e-09 2.16891259e-09] [-1.45393344e-09 1.74277714e-09 -2.16891259e-09] [-1.45393344e-09 -1.74277714e-09 -2.16891259e-09] [ 1.45393344e-09 -1.74277714e-09 2.16891259e-09] [-1.45393344e-09 -1.74277714e-09 -2.16891259e-09] [ 1.45393344e-09 -1.74277714e-09 2.16891259e-09] [-2.10471709e-09 -1.26392311e-09 1.48180420e-09] [ 2.10471709e-09 -1.26392311e-09 -1.48180420e-09] [-2.10471709e-09 -1.26392311e-09 1.48180420e-09] [ 2.10471709e-09 -1.26392311e-09 -1.48180420e-09] [ 2.10471709e-09 1.26392311e-09 -1.48180420e-09] [-2.10471709e-09 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