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: SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_003 ==== 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 09:37:00 -694.121737 6.968971 BFGS: 1 09:37:01 -698.513984 3.906292 BFGS: 2 09:37:02 -701.032838 1.427612 BFGS: 3 09:37:02 -701.893342 0.784770 BFGS: 4 09:37:03 -702.205637 0.730113 BFGS: 5 09:37:03 -702.591862 0.684819 BFGS: 6 09:37:04 -702.732338 0.685191 BFGS: 7 09:37:04 -702.859841 0.688101 BFGS: 8 09:37:05 -702.966460 0.675978 BFGS: 9 09:37:06 -703.054359 0.650116 BFGS: 10 09:37:06 -703.126577 0.618943 BFGS: 11 09:37:07 -703.185439 0.589413 BFGS: 12 09:37:08 -703.236147 0.565109 BFGS: 13 09:37:08 -703.283232 0.546195 BFGS: 14 09:37:09 -703.328697 0.531369 BFGS: 15 09:37:09 -703.372942 0.519309 BFGS: 16 09:37:09 -703.415753 0.509032 BFGS: 17 09:37:10 -703.456779 0.499852 BFGS: 18 09:37:10 -703.495719 0.491304 BFGS: 19 09:37:11 -703.532379 0.483072 BFGS: 20 09:37:12 -703.566686 0.474943 BFGS: 21 09:37:12 -703.598671 0.466776 BFGS: 22 09:37:13 -703.628454 0.458479 BFGS: 23 09:37:13 -703.656220 0.449993 BFGS: 24 09:37:14 -703.682200 0.441285 BFGS: 25 09:37:15 -703.706649 0.432339 BFGS: 26 09:37:15 -703.729837 0.423150 BFGS: 27 09:37:16 -703.752022 0.413724 BFGS: 28 09:37:16 -703.773448 0.404073 BFGS: 29 09:37:17 -703.794330 0.394212 BFGS: 30 09:37:17 -703.814852 0.384162 BFGS: 31 09:37:18 -703.835161 0.373942 BFGS: 32 09:37:18 -703.855372 0.363574 BFGS: 33 09:37:19 -703.875566 0.353076 BFGS: 34 09:37:20 -703.895801 0.342468 BFGS: 35 09:37:20 -703.916107 0.331767 BFGS: 36 09:37:21 -703.936499 0.320988 BFGS: 37 09:37:21 -703.956973 0.310147 BFGS: 38 09:37:22 -703.977515 0.299254 BFGS: 39 09:37:23 -703.998099 0.288320 BFGS: 40 09:37:23 -704.018692 0.277357 BFGS: 41 09:37:24 -704.039254 0.266371 BFGS: 42 09:37:24 -704.059738 0.255372 BFGS: 43 09:37:25 -704.080094 0.244364 BFGS: 44 09:37:25 -704.100267 0.233355 BFGS: 45 09:37:26 -704.120197 0.222350 BFGS: 46 09:37:26 -704.139823 0.211354 BFGS: 47 09:37:27 -704.159078 0.200372 BFGS: 48 09:37:28 -704.177894 0.189407 BFGS: 49 09:37:28 -704.196199 0.178464 BFGS: 50 09:37:29 -704.213919 0.167546 BFGS: 51 09:37:30 -704.230975 0.156658 BFGS: 52 09:37:31 -704.247288 0.145805 BFGS: 53 09:37:32 -704.262773 0.134989 BFGS: 54 09:37:32 -704.277341 0.124216 BFGS: 55 09:37:33 -704.290900 0.113492 BFGS: 56 09:37:34 -704.303352 0.102823 BFGS: 57 09:37:35 -704.314592 0.092219 BFGS: 58 09:37:36 -704.324510 0.081692 BFGS: 59 09:37:37 -704.332982 0.071262 BFGS: 60 09:37:38 -704.339876 0.076030 BFGS: 61 09:37:39 -704.345058 0.080564 BFGS: 62 09:37:39 -704.348129 0.082920 BFGS: 63 09:37:40 -704.350213 0.081576 BFGS: 64 09:37:41 -704.354397 0.074144 BFGS: 65 09:37:42 -704.356523 0.067084 BFGS: 66 09:37:42 -704.357691 0.068079 BFGS: 67 09:37:43 -704.358670 0.070269 BFGS: 68 09:37:44 -704.360447 0.069066 BFGS: 69 09:37:45 -704.362728 0.061618 BFGS: 70 09:37:45 -704.364400 0.062110 BFGS: 71 09:37:46 -704.365706 0.064498 BFGS: 72 09:37:47 -704.366763 0.065992 BFGS: 73 09:37:47 -704.368214 0.066721 BFGS: 74 09:37:48 -704.371477 0.064926 BFGS: 75 09:37:48 -704.375975 0.058443 BFGS: 76 09:37:49 -704.380084 0.050301 BFGS: 77 09:37:49 -704.383920 0.045473 BFGS: 78 09:37:50 -704.387370 0.045405 BFGS: 79 09:37:50 -704.390589 0.041413 BFGS: 80 09:37:51 -704.394016 0.034208 BFGS: 81 09:37:51 -704.397543 0.030661 BFGS: 82 09:37:52 -704.400384 0.029843 BFGS: 83 09:37:52 -704.402800 0.028748 BFGS: 84 09:37:53 -704.404772 0.026248 BFGS: 85 09:37:53 -704.406287 0.024127 BFGS: 86 09:37:54 -704.407450 0.023950 BFGS: 87 09:37:54 -704.408274 0.020289 BFGS: 88 09:37:54 -704.409618 0.014327 BFGS: 89 09:37:55 -704.410272 0.013269 BFGS: 90 09:37:55 -704.410533 0.013369 BFGS: 91 09:37:55 -704.410662 0.011481 BFGS: 92 09:37:56 -704.410831 0.008688 BFGS: 93 09:37:56 -704.410991 0.008705 BFGS: 94 09:37:57 -704.411085 0.008109 BFGS: 95 09:37:58 -704.411121 0.007533 BFGS: 96 09:37:59 -704.411141 0.007711 BFGS: 97 09:37:59 -704.411163 0.007937 BFGS: 98 09:38:00 -704.411183 0.007831 BFGS: 99 09:38:01 -704.411198 0.007477 BFGS: 100 09:38:02 -704.411212 0.007263 BFGS: 101 09:38:02 -704.411228 0.007413 BFGS: 102 09:38:03 -704.411245 0.007409 BFGS: 103 09:38:04 -704.411260 0.007214 BFGS: 104 09:38:04 -704.411276 0.006891 BFGS: 105 09:38:05 -704.411294 0.006591 BFGS: 106 09:38:05 -704.411316 0.006594 BFGS: 107 09:38:06 -704.411337 0.006364 BFGS: 108 09:38:06 -704.411355 0.005979 BFGS: 109 09:38:07 -704.411369 0.005598 BFGS: 110 09:38:07 -704.411387 0.005468 BFGS: 111 09:38:08 -704.411411 0.005138 BFGS: 112 09:38:09 -704.411442 0.005014 BFGS: 113 09:38:09 -704.411482 0.005780 BFGS: 114 09:38:10 -704.411527 0.005176 BFGS: 115 09:38:10 -704.411570 0.003582 BFGS: 116 09:38:11 -704.411602 0.003290 BFGS: 117 09:38:11 -704.411624 0.003882 BFGS: 118 09:38:12 -704.411641 0.003648 BFGS: 119 09:38:12 -704.411657 0.002684 BFGS: 120 09:38:13 -704.411668 0.002089 BFGS: 121 09:38:14 -704.411676 0.001946 BFGS: 122 09:38:14 -704.411682 0.001541 BFGS: 123 09:38:14 -704.411687 0.001339 BFGS: 124 09:38:16 -704.411692 0.001437 BFGS: 125 09:38:16 -704.411695 0.001269 BFGS: 126 09:38:17 -704.411697 0.000884 BFGS: 127 09:38:17 -704.411698 0.000971 BFGS: 128 09:38:18 -704.411700 0.000898 BFGS: 129 09:38:19 -704.411701 0.000665 BFGS: 130 09:38:20 -704.411701 0.000462 BFGS: 131 09:38:21 -704.411702 0.000377 BFGS: 132 09:38:22 -704.411702 0.000313 BFGS: 133 09:38:23 -704.411702 0.000241 BFGS: 134 09:38:23 -704.411702 0.000194 BFGS: 135 09:38:24 -704.411702 0.000117 BFGS: 136 09:38:25 -704.411702 0.000111 BFGS: 137 09:38:26 -704.411702 0.000085 BFGS: 138 09:38:26 -704.411702 0.000077 BFGS: 139 09:38:26 -704.411702 0.000079 BFGS: 140 09:38:27 -704.411702 0.000080 BFGS: 141 09:38:27 -704.411702 0.000080 BFGS: 142 09:38:28 -704.411702 0.000079 BFGS: 143 09:38:29 -704.411702 0.000077 BFGS: 144 09:38:29 -704.411702 0.000075 BFGS: 145 09:38:30 -704.411702 0.000074 BFGS: 146 09:38:30 -704.411702 0.000072 BFGS: 147 09:38:31 -704.411702 0.000071 BFGS: 148 09:38:32 -704.411702 0.000069 BFGS: 149 09:38:32 -704.411702 0.000066 BFGS: 150 09:38:33 -704.411702 0.000062 BFGS: 151 09:38:33 -704.411702 0.000057 BFGS: 152 09:38:34 -704.411702 0.000056 BFGS: 153 09:38:34 -704.411702 0.000057 BFGS: 154 09:38:34 -704.411702 0.000065 BFGS: 155 09:38:35 -704.411702 0.000052 BFGS: 156 09:38:35 -704.411702 0.000055 BFGS: 157 09:38:36 -704.411702 0.000047 BFGS: 158 09:38:36 -704.411702 0.000029 BFGS: 159 09:38:36 -704.411702 0.000023 BFGS: 160 09:38:36 -704.411702 0.000017 BFGS: 161 09:38:37 -704.411702 0.000011 BFGS: 162 09:38:38 -704.411702 0.000009 BFGS: 163 09:38:38 -704.411702 0.000006 BFGS: 164 09:38:39 -704.411702 0.000005 BFGS: 165 09:38:39 -704.411702 0.000004 BFGS: 166 09:38:40 -704.411702 0.000002 BFGS: 167 09:38:40 -704.411702 0.000002 BFGS: 168 09:38:40 -704.411702 0.000001 BFGS: 169 09:38:41 -704.411702 0.000001 BFGS: 170 09:38:41 -704.411702 0.000001 BFGS: 171 09:38:42 -704.411702 0.000001 BFGS: 172 09:38:43 -704.411702 0.000000 BFGS: 173 09:38:43 -704.411702 0.000000 BFGS: 174 09:38:44 -704.411702 0.000000 BFGS: 175 09:38:44 -704.411702 0.000000 BFGS: 176 09:38:45 -704.411702 0.000000 BFGS: 177 09:38:46 -704.411702 0.000000 BFGS: 178 09:38:47 -704.411702 0.000000 BFGS: 179 09:38:47 -704.411702 0.000000 BFGS: 180 09:38:48 -704.411702 0.000000 BFGS: 181 09:38:48 -704.411702 0.000000 BFGS: 182 09:38:49 -704.411702 0.000000 BFGS: 183 09:38:50 -704.411702 0.000000 BFGS: 184 09:38:51 -704.411702 0.000000 BFGS: 185 09:38:51 -704.411702 0.000000 BFGS: 186 09:38:52 -704.411702 0.000000 BFGS: 187 09:38:52 -704.411702 0.000000 BFGS: 188 09:38:53 -704.411702 0.000000 BFGS: 189 09:38:53 -704.411702 0.000000 BFGS: 190 09:38:54 -704.411702 0.000000 BFGS: 191 09:38:54 -704.411702 0.000000 BFGS: 192 09:38:54 -704.411702 0.000000 BFGS: 193 09:38:55 -704.411702 0.000000 BFGS: 194 09:38:55 -704.411702 0.000000 BFGS: 195 09:38:55 -704.411702 0.000000 BFGS: 196 09:38:56 -704.411702 0.000000 BFGS: 197 09:38:56 -704.411702 0.000000 BFGS: 198 09:38:56 -704.411702 0.000000 BFGS: 199 09:38:57 -704.411702 0.000000 BFGS: 200 09:38:57 -704.411702 0.000000 Minimization converged after 200 steps. Maximum force component: 9.211050200352844e-09 eV/Angstrom Maximum stress component: 3.6899674070249343e-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 = [[7.57111342e-18 5.00078886e-01 2.50000000e-01] [5.00000000e-01 7.88863015e-05 2.50000000e-01] [0.00000000e+00 4.99921114e-01 7.50000000e-01] [5.00000000e-01 9.99921114e-01 7.50000000e-01] [3.13742322e-01 9.63195279e-01 6.00987531e-01] [6.86257678e-01 9.63195279e-01 8.99012469e-01] [8.13742322e-01 4.63195279e-01 6.00987531e-01] [1.86257678e-01 4.63195279e-01 8.99012469e-01] [6.86257678e-01 3.68047213e-02 3.99012469e-01] [3.13742322e-01 3.68047213e-02 1.00987531e-01] [1.86257678e-01 5.36804721e-01 3.99012469e-01] [8.13742322e-01 5.36804721e-01 1.00987531e-01] [1.46907018e-01 6.73066979e-02 7.97776178e-01] [8.53092982e-01 6.73066979e-02 7.02223822e-01] [6.46907018e-01 5.67306698e-01 7.97776178e-01] [3.53092982e-01 5.67306698e-01 7.02223822e-01] [8.53092982e-01 9.32693302e-01 2.02223822e-01] [1.46907018e-01 9.32693302e-01 2.97776178e-01] [3.53092982e-01 4.32693302e-01 2.02223822e-01] [6.46907018e-01 4.32693302e-01 2.97776178e-01] [1.48882593e-01 9.35813492e-01 6.72396186e-01] [8.51117407e-01 9.35813492e-01 8.27603814e-01] [6.48882593e-01 4.35813492e-01 6.72396186e-01] [3.51117407e-01 4.35813492e-01 8.27603814e-01] [8.51117407e-01 6.41865080e-02 3.27603814e-01] [1.48882593e-01 6.41865080e-02 1.72396186e-01] [3.51117407e-01 5.64186508e-01 3.27603814e-01] [6.48882593e-01 5.64186508e-01 1.72396186e-01] [9.24919397e-02 9.58336172e-01 4.93824168e-01] [9.07508060e-01 9.58336172e-01 6.17583168e-03] [5.92491940e-01 4.58336172e-01 4.93824168e-01] [4.07508060e-01 4.58336172e-01 6.17583168e-03] [9.07508060e-01 4.16638277e-02 5.06175832e-01] [9.24919397e-02 4.16638277e-02 9.93824168e-01] [4.07508060e-01 5.41663828e-01 5.06175832e-01] [5.92491940e-01 5.41663828e-01 9.93824168e-01] [6.08274732e-01 3.21038118e-01 8.01298842e-01] [3.91725268e-01 3.21038118e-01 6.98701158e-01] [1.08274732e-01 8.21038118e-01 8.01298842e-01] [8.91725268e-01 8.21038118e-01 6.98701158e-01] [3.91725268e-01 6.78961882e-01 1.98701158e-01] [6.08274732e-01 6.78961882e-01 3.01298842e-01] [8.91725268e-01 1.78961882e-01 1.98701158e-01] [1.08274732e-01 1.78961882e-01 3.01298842e-01] [5.40161172e-01 2.50914720e-01 6.82357417e-01] [4.59838828e-01 2.50914720e-01 8.17642583e-01] [4.01611717e-02 7.50914720e-01 6.82357417e-01] [9.59838828e-01 7.50914720e-01 8.17642583e-01] [4.59838828e-01 7.49085280e-01 3.17642583e-01] [5.40161172e-01 7.49085280e-01 1.82357417e-01] [9.59838828e-01 2.49085280e-01 3.17642583e-01] [4.01611717e-02 2.49085280e-01 1.82357417e-01] [7.72235185e-01 1.32324107e-01 6.43638447e-01] [2.27764815e-01 1.32324107e-01 8.56361553e-01] [2.72235185e-01 6.32324107e-01 6.43638447e-01] [7.27764815e-01 6.32324107e-01 8.56361553e-01] [2.27764815e-01 8.67675893e-01 3.56361553e-01] [7.72235185e-01 8.67675893e-01 1.43638447e-01] [7.27764815e-01 3.67675893e-01 3.56361553e-01] [2.72235185e-01 3.67675893e-01 1.43638447e-01] [2.58971238e-01 7.73812746e-01 7.51018314e-01] [7.41028762e-01 7.73812746e-01 7.48981686e-01] [7.58971238e-01 2.73812746e-01 7.51018314e-01] [2.41028762e-01 2.73812746e-01 7.48981686e-01] [7.41028762e-01 2.26187254e-01 2.48981686e-01] [2.58971238e-01 2.26187254e-01 2.51018314e-01] [2.41028762e-01 7.26187254e-01 2.48981686e-01] [7.58971238e-01 7.26187254e-01 2.51018314e-01] [6.75208410e-01 2.28925276e-01 8.78269393e-01] [3.24791590e-01 2.28925276e-01 6.21730607e-01] [1.75208410e-01 7.28925276e-01 8.78269393e-01] [8.24791590e-01 7.28925276e-01 6.21730607e-01] [3.24791590e-01 7.71074724e-01 1.21730607e-01] [6.75208410e-01 7.71074724e-01 3.78269393e-01] [8.24791590e-01 2.71074724e-01 1.21730607e-01] [1.75208410e-01 2.71074724e-01 3.78269393e-01] [6.90977240e-01 9.18722125e-02 7.69126270e-01] [3.09022760e-01 9.18722125e-02 7.30873730e-01] [1.90977240e-01 5.91872213e-01 7.69126270e-01] [8.09022760e-01 5.91872213e-01 7.30873730e-01] [3.09022760e-01 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2.12805537e-09] [ 1.99060162e-09 -1.85557793e-09 -2.12805537e-09] [-1.99060162e-09 -1.85557793e-09 2.12805537e-09] [-1.99060162e-09 1.85557793e-09 2.12805537e-09] [ 1.99060162e-09 1.85557793e-09 -2.12805537e-09] [-1.99060162e-09 1.85557793e-09 2.12805537e-09] [ 1.99060162e-09 1.85557793e-09 -2.12805537e-09] [-3.80743322e-09 -2.74658799e-10 -1.04173171e-09] [ 3.80743322e-09 -2.74658799e-10 1.04173171e-09] [-3.80743322e-09 -2.74658799e-10 -1.04173171e-09] [ 3.80743322e-09 -2.74658799e-10 1.04173171e-09] [ 3.80743322e-09 2.74658799e-10 1.04173171e-09] [-3.80743322e-09 2.74658799e-10 -1.04173171e-09] [ 3.80743322e-09 2.74658799e-10 1.04173171e-09] [-3.80743322e-09 2.74658799e-10 -1.04173171e-09] [ 1.75178641e-09 3.93729569e-10 1.66848989e-12] [-1.75178641e-09 3.93729569e-10 -1.66848989e-12] [ 1.75178641e-09 3.93729569e-10 1.66848989e-12] [-1.75178641e-09 3.93729569e-10 -1.66848989e-12] [-1.75178641e-09 -3.93729569e-10 -1.66848989e-12] [ 1.75178641e-09 -3.93729569e-10 1.66848989e-12] [-1.75178641e-09 -3.93729569e-10 -1.66848989e-12] [ 1.75178641e-09 -3.93729569e-10 1.66848989e-12] [ 3.24148383e-09 -5.48404244e-09 -3.90475155e-09] [-3.24148383e-09 -5.48404244e-09 3.90475155e-09] [ 3.24148383e-09 -5.48404244e-09 -3.90475155e-09] [-3.24148383e-09 -5.48404244e-09 3.90475155e-09] [-3.24148383e-09 5.48404244e-09 3.90475155e-09] [ 3.24148383e-09 5.48404244e-09 -3.90475155e-09] [-3.24148383e-09 5.48404244e-09 3.90475155e-09] [ 3.24148383e-09 5.48404244e-09 -3.90475155e-09] [ 8.56435258e-10 -5.57973880e-09 3.69912041e-09] [-8.56435258e-10 -5.57973880e-09 -3.69912041e-09] [ 8.56435258e-10 -5.57973880e-09 3.69912041e-09] [-8.56435258e-10 -5.57973880e-09 -3.69912041e-09] [-8.56435258e-10 5.57973880e-09 -3.69912041e-09] [ 8.56435258e-10 5.57973880e-09 3.69912041e-09] [-8.56435258e-10 5.57973880e-09 -3.69912041e-09] [ 8.56435258e-10 5.57973880e-09 3.69912041e-09] [ 3.23491643e-09 -9.10910935e-11 3.90344699e-09] [-3.23491643e-09 -9.10910935e-11 -3.90344699e-09] [ 3.23491643e-09 -9.10910935e-11 3.90344699e-09] [-3.23491643e-09 -9.10910935e-11 -3.90344699e-09] [-3.23491643e-09 9.10910935e-11 -3.90344699e-09] [ 3.23491643e-09 9.10910935e-11 3.90344699e-09] [-3.23491643e-09 9.10910935e-11 -3.90344699e-09] [ 3.23491643e-09 9.10910935e-11 3.90344699e-09]] stress = [ 1.07894985e-11 3.68996741e-11 7.63781305e-12 -1.61111220e-32 7.25309358e-12 5.61415599e-33] energy per atom = -4.295193305799935 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0