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 16:09:35 -694.121737 6.9690 BFGS: 1 16:09:35 -698.513984 3.9063 BFGS: 2 16:09:35 -701.032838 1.4276 BFGS: 3 16:09:35 -701.893342 0.7848 BFGS: 4 16:09:35 -702.205637 0.7301 BFGS: 5 16:09:36 -702.591862 0.6848 BFGS: 6 16:09:36 -702.732338 0.6852 BFGS: 7 16:09:36 -702.859841 0.6881 BFGS: 8 16:09:36 -702.966460 0.6760 BFGS: 9 16:09:36 -703.054359 0.6501 BFGS: 10 16:09:36 -703.126577 0.6189 BFGS: 11 16:09:37 -703.185439 0.5894 BFGS: 12 16:09:37 -703.236147 0.5651 BFGS: 13 16:09:37 -703.283232 0.5462 BFGS: 14 16:09:37 -703.328697 0.5314 BFGS: 15 16:09:37 -703.372942 0.5193 BFGS: 16 16:09:37 -703.415753 0.5090 BFGS: 17 16:09:37 -703.456779 0.4999 BFGS: 18 16:09:37 -703.495719 0.4913 BFGS: 19 16:09:38 -703.532379 0.4831 BFGS: 20 16:09:38 -703.566686 0.4749 BFGS: 21 16:09:38 -703.598671 0.4668 BFGS: 22 16:09:38 -703.628454 0.4585 BFGS: 23 16:09:38 -703.656220 0.4500 BFGS: 24 16:09:38 -703.682200 0.4413 BFGS: 25 16:09:38 -703.706649 0.4323 BFGS: 26 16:09:38 -703.729837 0.4231 BFGS: 27 16:09:38 -703.752022 0.4137 BFGS: 28 16:09:39 -703.773448 0.4041 BFGS: 29 16:09:39 -703.794330 0.3942 BFGS: 30 16:09:39 -703.814852 0.3842 BFGS: 31 16:09:39 -703.835161 0.3739 BFGS: 32 16:09:39 -703.855372 0.3636 BFGS: 33 16:09:39 -703.875566 0.3531 BFGS: 34 16:09:39 -703.895801 0.3425 BFGS: 35 16:09:39 -703.916107 0.3318 BFGS: 36 16:09:40 -703.936499 0.3210 BFGS: 37 16:09:40 -703.956973 0.3101 BFGS: 38 16:09:40 -703.977515 0.2993 BFGS: 39 16:09:40 -703.998099 0.2883 BFGS: 40 16:09:40 -704.018692 0.2774 BFGS: 41 16:09:40 -704.039254 0.2664 BFGS: 42 16:09:40 -704.059738 0.2554 BFGS: 43 16:09:40 -704.080094 0.2444 BFGS: 44 16:09:40 -704.100267 0.2334 BFGS: 45 16:09:41 -704.120197 0.2224 BFGS: 46 16:09:41 -704.139823 0.2114 BFGS: 47 16:09:41 -704.159078 0.2004 BFGS: 48 16:09:41 -704.177894 0.1894 BFGS: 49 16:09:41 -704.196199 0.1785 BFGS: 50 16:09:41 -704.213919 0.1675 BFGS: 51 16:09:41 -704.230975 0.1567 BFGS: 52 16:09:41 -704.247288 0.1458 BFGS: 53 16:09:42 -704.262773 0.1350 BFGS: 54 16:09:42 -704.277341 0.1242 BFGS: 55 16:09:42 -704.290900 0.1135 BFGS: 56 16:09:42 -704.303352 0.1028 BFGS: 57 16:09:42 -704.314592 0.0922 BFGS: 58 16:09:42 -704.324510 0.0817 BFGS: 59 16:09:42 -704.332982 0.0713 BFGS: 60 16:09:42 -704.339876 0.0760 BFGS: 61 16:09:42 -704.345058 0.0806 BFGS: 62 16:09:43 -704.348129 0.0829 BFGS: 63 16:09:43 -704.350213 0.0816 BFGS: 64 16:09:43 -704.354397 0.0741 BFGS: 65 16:09:43 -704.356523 0.0671 BFGS: 66 16:09:43 -704.357691 0.0681 BFGS: 67 16:09:43 -704.358670 0.0703 BFGS: 68 16:09:43 -704.360447 0.0691 BFGS: 69 16:09:43 -704.362728 0.0616 BFGS: 70 16:09:43 -704.364400 0.0621 BFGS: 71 16:09:44 -704.365706 0.0645 BFGS: 72 16:09:44 -704.366763 0.0660 BFGS: 73 16:09:44 -704.368214 0.0667 BFGS: 74 16:09:44 -704.371477 0.0649 BFGS: 75 16:09:44 -704.375975 0.0584 BFGS: 76 16:09:44 -704.380084 0.0503 BFGS: 77 16:09:44 -704.383920 0.0455 BFGS: 78 16:09:44 -704.387370 0.0454 BFGS: 79 16:09:45 -704.390589 0.0414 BFGS: 80 16:09:45 -704.394016 0.0342 BFGS: 81 16:09:45 -704.397543 0.0307 BFGS: 82 16:09:45 -704.400384 0.0298 BFGS: 83 16:09:45 -704.402800 0.0287 BFGS: 84 16:09:45 -704.404772 0.0262 BFGS: 85 16:09:45 -704.406287 0.0241 BFGS: 86 16:09:45 -704.407450 0.0239 BFGS: 87 16:09:45 -704.408274 0.0203 BFGS: 88 16:09:46 -704.409618 0.0143 BFGS: 89 16:09:46 -704.410272 0.0133 BFGS: 90 16:09:46 -704.410533 0.0134 BFGS: 91 16:09:46 -704.410662 0.0115 BFGS: 92 16:09:46 -704.410831 0.0087 BFGS: 93 16:09:46 -704.410991 0.0087 BFGS: 94 16:09:46 -704.411085 0.0081 BFGS: 95 16:09:46 -704.411121 0.0075 BFGS: 96 16:09:47 -704.411141 0.0077 BFGS: 97 16:09:47 -704.411163 0.0079 BFGS: 98 16:09:47 -704.411183 0.0078 BFGS: 99 16:09:47 -704.411198 0.0075 BFGS: 100 16:09:47 -704.411212 0.0073 BFGS: 101 16:09:47 -704.411228 0.0074 BFGS: 102 16:09:47 -704.411245 0.0074 BFGS: 103 16:09:47 -704.411260 0.0072 BFGS: 104 16:09:47 -704.411276 0.0069 BFGS: 105 16:09:48 -704.411294 0.0066 BFGS: 106 16:09:48 -704.411316 0.0066 BFGS: 107 16:09:48 -704.411337 0.0064 BFGS: 108 16:09:48 -704.411355 0.0060 BFGS: 109 16:09:48 -704.411369 0.0056 BFGS: 110 16:09:48 -704.411387 0.0055 BFGS: 111 16:09:48 -704.411411 0.0051 BFGS: 112 16:09:49 -704.411442 0.0050 BFGS: 113 16:09:49 -704.411482 0.0058 BFGS: 114 16:09:49 -704.411527 0.0052 BFGS: 115 16:09:49 -704.411570 0.0036 BFGS: 116 16:09:49 -704.411602 0.0033 BFGS: 117 16:09:49 -704.411624 0.0039 BFGS: 118 16:09:49 -704.411641 0.0036 BFGS: 119 16:09:49 -704.411657 0.0027 BFGS: 120 16:09:50 -704.411668 0.0021 BFGS: 121 16:09:50 -704.411676 0.0019 BFGS: 122 16:09:50 -704.411682 0.0015 BFGS: 123 16:09:50 -704.411687 0.0013 BFGS: 124 16:09:50 -704.411692 0.0014 BFGS: 125 16:09:50 -704.411695 0.0013 BFGS: 126 16:09:50 -704.411697 0.0009 BFGS: 127 16:09:51 -704.411698 0.0010 BFGS: 128 16:09:51 -704.411700 0.0009 BFGS: 129 16:09:51 -704.411701 0.0007 BFGS: 130 16:09:51 -704.411701 0.0005 BFGS: 131 16:09:51 -704.411702 0.0004 BFGS: 132 16:09:51 -704.411702 0.0003 BFGS: 133 16:09:51 -704.411702 0.0002 BFGS: 134 16:09:52 -704.411702 0.0002 BFGS: 135 16:09:52 -704.411702 0.0001 BFGS: 136 16:09:52 -704.411702 0.0001 BFGS: 137 16:09:52 -704.411702 0.0001 BFGS: 138 16:09:52 -704.411702 0.0001 BFGS: 139 16:09:52 -704.411702 0.0001 BFGS: 140 16:09:52 -704.411702 0.0001 BFGS: 141 16:09:53 -704.411702 0.0001 BFGS: 142 16:09:53 -704.411702 0.0001 BFGS: 143 16:09:53 -704.411702 0.0001 BFGS: 144 16:09:53 -704.411702 0.0001 BFGS: 145 16:09:53 -704.411702 0.0001 BFGS: 146 16:09:53 -704.411702 0.0001 BFGS: 147 16:09:53 -704.411702 0.0001 BFGS: 148 16:09:54 -704.411702 0.0001 BFGS: 149 16:09:54 -704.411702 0.0001 BFGS: 150 16:09:54 -704.411702 0.0001 BFGS: 151 16:09:54 -704.411702 0.0001 BFGS: 152 16:09:54 -704.411702 0.0001 BFGS: 153 16:09:54 -704.411702 0.0001 BFGS: 154 16:09:54 -704.411702 0.0001 BFGS: 155 16:09:55 -704.411702 0.0001 BFGS: 156 16:09:55 -704.411702 0.0001 BFGS: 157 16:09:55 -704.411702 0.0000 BFGS: 158 16:09:55 -704.411702 0.0000 BFGS: 159 16:09:55 -704.411702 0.0000 BFGS: 160 16:09:55 -704.411702 0.0000 BFGS: 161 16:09:55 -704.411702 0.0000 BFGS: 162 16:09:56 -704.411702 0.0000 BFGS: 163 16:09:56 -704.411702 0.0000 BFGS: 164 16:09:56 -704.411702 0.0000 BFGS: 165 16:09:56 -704.411702 0.0000 BFGS: 166 16:09:56 -704.411702 0.0000 BFGS: 167 16:09:57 -704.411702 0.0000 BFGS: 168 16:09:57 -704.411702 0.0000 BFGS: 169 16:09:57 -704.411702 0.0000 BFGS: 170 16:09:57 -704.411702 0.0000 BFGS: 171 16:09:57 -704.411702 0.0000 BFGS: 172 16:09:57 -704.411702 0.0000 BFGS: 173 16:09:58 -704.411702 0.0000 BFGS: 174 16:09:58 -704.411702 0.0000 BFGS: 175 16:09:58 -704.411702 0.0000 BFGS: 176 16:09:58 -704.411702 0.0000 BFGS: 177 16:09:58 -704.411702 0.0000 BFGS: 178 16:09:59 -704.411702 0.0000 BFGS: 179 16:09:59 -704.411702 0.0000 BFGS: 180 16:09:59 -704.411702 0.0000 BFGS: 181 16:09:59 -704.411702 0.0000 BFGS: 182 16:09:59 -704.411702 0.0000 BFGS: 183 16:09:59 -704.411702 0.0000 BFGS: 184 16:10:00 -704.411702 0.0000 BFGS: 185 16:10:00 -704.411702 0.0000 BFGS: 186 16:10:00 -704.411702 0.0000 BFGS: 187 16:10:00 -704.411702 0.0000 BFGS: 188 16:10:01 -704.411702 0.0000 BFGS: 189 16:10:01 -704.411702 0.0000 BFGS: 190 16:10:01 -704.411702 0.0000 BFGS: 191 16:10:02 -704.411702 0.0000 BFGS: 192 16:10:02 -704.411702 0.0000 BFGS: 193 16:10:02 -704.411702 0.0000 BFGS: 194 16:10:02 -704.411702 0.0000 BFGS: 195 16:10:02 -704.411702 0.0000 BFGS: 196 16:10:02 -704.411702 0.0000 BFGS: 197 16:10:02 -704.411702 0.0000 BFGS: 198 16:10:02 -704.411702 0.0000 BFGS: 199 16:10:03 -704.411702 0.0000 BFGS: 200 16:10:03 -704.411702 0.0000 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