element(s):
['O', 'Si']
AFLOW prototype label:
A2B_hR18_148_def_f
Parameter names:
['a', 'c/a', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.3978133', '1.2901474', '0.74779699', '0.22544201', '0.22770705', '0.75282408', '0.0031744776', '0.38930942']
model name:
Sim_LAMMPS_Vashishta_BroughtonMeliVashishta_1997_SiO__SM_422553794879_000
==== Building ASE atoms object with: ====
representative atom symbols = ['O', 'O', 'O', 'Si']
representative atom coordinates = [[0.5 0. 0.5 ]
[0.5 0. 0. ]
[0.8273917 0.17487334 0.40031535]
[0.00754009 0.37859485 0.38176933]]
spacegroup = 148
cell = [[8.3978, 0, 0], [-4.1989, 7.272708135901, 0], [0, 0, 10.8344]]
=========================================
Step Time Energy fmax
BFGS: 0 11:31:22 -73.126459 1.5036
BFGS: 1 11:31:23 -73.731108 1.3105
BFGS: 2 11:31:23 -74.780134 0.8077
BFGS: 3 11:31:23 -75.273780 0.3234
BFGS: 4 11:31:23 -75.338429 0.2617
BFGS: 5 11:31:23 -75.365344 0.2942
BFGS: 6 11:31:23 -75.380184 0.3058
BFGS: 7 11:31:24 -75.386291 0.3007
BFGS: 8 11:31:24 -75.400785 0.2865
BFGS: 9 11:31:24 -75.419218 0.2716
BFGS: 10 11:31:24 -75.438038 0.2615
BFGS: 11 11:31:24 -75.455404 0.2561
BFGS: 12 11:31:24 -75.471026 0.2536
BFGS: 13 11:31:24 -75.486006 0.2518
BFGS: 14 11:31:24 -75.501329 0.2496
BFGS: 15 11:31:24 -75.517204 0.2470
BFGS: 16 11:31:24 -75.533442 0.2440
BFGS: 17 11:31:24 -75.549803 0.2406
BFGS: 18 11:31:24 -75.566118 0.2369
BFGS: 19 11:31:24 -75.582307 0.2330
BFGS: 20 11:31:24 -75.598155 0.2290
BFGS: 21 11:31:24 -75.613729 0.2248
BFGS: 22 11:31:24 -75.629052 0.2206
BFGS: 23 11:31:24 -75.644125 0.2166
BFGS: 24 11:31:24 -75.658933 0.2138
BFGS: 25 11:31:24 -75.673482 0.2116
BFGS: 26 11:31:24 -75.687752 0.2087
BFGS: 27 11:31:24 -75.701746 0.2052
BFGS: 28 11:31:24 -75.715458 0.2013
BFGS: 29 11:31:24 -75.728904 0.1969
BFGS: 30 11:31:24 -75.742086 0.1920
BFGS: 31 11:31:24 -75.755000 0.1866
BFGS: 32 11:31:25 -75.767604 0.1807
BFGS: 33 11:31:25 -75.779882 0.1764
BFGS: 34 11:31:25 -75.791813 0.1723
BFGS: 35 11:31:25 -75.803383 0.1682
BFGS: 36 11:31:25 -75.814585 0.1641
BFGS: 37 11:31:25 -75.825411 0.1601
BFGS: 38 11:31:25 -75.835855 0.1560
BFGS: 39 11:31:25 -75.845914 0.1520
BFGS: 40 11:31:25 -75.855583 0.1480
BFGS: 41 11:31:25 -75.864860 0.1440
BFGS: 42 11:31:25 -75.873742 0.1401
BFGS: 43 11:31:25 -75.882229 0.1362
BFGS: 44 11:31:25 -75.890320 0.1323
BFGS: 45 11:31:25 -75.898015 0.1284
BFGS: 46 11:31:25 -75.905316 0.1246
BFGS: 47 11:31:25 -75.912227 0.1208
BFGS: 48 11:31:25 -75.918735 0.1170
BFGS: 49 11:31:25 -75.924847 0.1132
BFGS: 50 11:31:26 -75.930590 0.1096
BFGS: 51 11:31:26 -75.935961 0.1062
BFGS: 52 11:31:26 -75.940962 0.1028
BFGS: 53 11:31:26 -75.945607 0.0995
BFGS: 54 11:31:26 -75.949913 0.0963
BFGS: 55 11:31:26 -75.953902 0.0931
BFGS: 56 11:31:26 -75.957600 0.0900
BFGS: 57 11:31:26 -75.961049 0.0870
BFGS: 58 11:31:26 -75.964290 0.0840
BFGS: 59 11:31:26 -75.967379 0.0813
BFGS: 60 11:31:26 -75.970391 0.0787
BFGS: 61 11:31:26 -75.973425 0.0763
BFGS: 62 11:31:26 -75.976616 0.0769
BFGS: 63 11:31:26 -75.980141 0.0818
BFGS: 64 11:31:26 -75.984230 0.0867
BFGS: 65 11:31:27 -75.989165 0.0914
BFGS: 66 11:31:27 -75.995217 0.0951
BFGS: 67 11:31:27 -76.001164 0.0946
BFGS: 68 11:31:27 -76.003198 0.0904
BFGS: 69 11:31:27 -76.005661 0.0905
BFGS: 70 11:31:27 -76.007182 0.0916
BFGS: 71 11:31:27 -76.008343 0.0922
BFGS: 72 11:31:27 -76.009510 0.0928
BFGS: 73 11:31:27 -76.011226 0.0934
BFGS: 74 11:31:27 -76.014207 0.0935
BFGS: 75 11:31:27 -76.018748 0.0927
BFGS: 76 11:31:27 -76.025433 0.0900
BFGS: 77 11:31:27 -76.031025 0.0871
BFGS: 78 11:31:28 -76.035502 0.0849
BFGS: 79 11:31:28 -76.039537 0.0828
BFGS: 80 11:31:28 -76.043326 0.0808
BFGS: 81 11:31:28 -76.046958 0.0788
BFGS: 82 11:31:28 -76.050477 0.0770
BFGS: 83 11:31:28 -76.053909 0.0752
BFGS: 84 11:31:28 -76.057271 0.0735
BFGS: 85 11:31:29 -76.060573 0.0719
BFGS: 86 11:31:29 -76.063823 0.0703
BFGS: 87 11:31:29 -76.067027 0.0687
BFGS: 88 11:31:29 -76.070192 0.0672
BFGS: 89 11:31:29 -76.073320 0.0657
BFGS: 90 11:31:29 -76.076413 0.0641
BFGS: 91 11:31:29 -76.079464 0.0640
BFGS: 92 11:31:29 -76.082485 0.0643
BFGS: 93 11:31:30 -76.085471 0.0644
BFGS: 94 11:31:30 -76.088423 0.0645
BFGS: 95 11:31:30 -76.091338 0.0645
BFGS: 96 11:31:30 -76.094219 0.0644
BFGS: 97 11:31:30 -76.097064 0.0642
BFGS: 98 11:31:30 -76.099876 0.0640
BFGS: 99 11:31:30 -76.102655 0.0637
BFGS: 100 11:31:30 -76.105399 0.0633
BFGS: 101 11:31:30 -76.108107 0.0629
BFGS: 102 11:31:30 -76.110780 0.0625
BFGS: 103 11:31:30 -76.113416 0.0620
BFGS: 104 11:31:30 -76.116015 0.0615
BFGS: 105 11:31:30 -76.118577 0.0609
BFGS: 106 11:31:30 -76.121101 0.0602
BFGS: 107 11:31:31 -76.123586 0.0595
BFGS: 108 11:31:31 -76.126029 0.0588
BFGS: 109 11:31:31 -76.128433 0.0580
BFGS: 110 11:31:31 -76.130795 0.0572
BFGS: 111 11:31:31 -76.133114 0.0564
BFGS: 112 11:31:31 -76.135390 0.0556
BFGS: 113 11:31:31 -76.137622 0.0548
BFGS: 114 11:31:31 -76.139810 0.0539
BFGS: 115 11:31:31 -76.141955 0.0530
BFGS: 116 11:31:31 -76.144056 0.0521
BFGS: 117 11:31:32 -76.146112 0.0511
BFGS: 118 11:31:32 -76.148123 0.0500
BFGS: 119 11:31:32 -76.150091 0.0490
BFGS: 120 11:31:32 -76.152013 0.0479
BFGS: 121 11:31:32 -76.153889 0.0468
BFGS: 122 11:31:32 -76.155720 0.0457
BFGS: 123 11:31:32 -76.157503 0.0446
BFGS: 124 11:31:32 -76.159241 0.0435
BFGS: 125 11:31:32 -76.160931 0.0423
BFGS: 126 11:31:33 -76.162575 0.0412
BFGS: 127 11:31:33 -76.164173 0.0401
BFGS: 128 11:31:33 -76.165725 0.0390
BFGS: 129 11:31:33 -76.167232 0.0378
BFGS: 130 11:31:33 -76.168694 0.0367
BFGS: 131 11:31:33 -76.170112 0.0356
BFGS: 132 11:31:34 -76.171486 0.0344
BFGS: 133 11:31:34 -76.172817 0.0333
BFGS: 134 11:31:34 -76.174107 0.0322
BFGS: 135 11:31:34 -76.175355 0.0311
BFGS: 136 11:31:34 -76.176564 0.0300
BFGS: 137 11:31:34 -76.177733 0.0289
BFGS: 138 11:31:34 -76.178865 0.0278
BFGS: 139 11:31:35 -76.179959 0.0267
BFGS: 140 11:31:35 -76.181019 0.0256
BFGS: 141 11:31:35 -76.182043 0.0246
BFGS: 142 11:31:35 -76.183035 0.0235
BFGS: 143 11:31:35 -76.183995 0.0225
BFGS: 144 11:31:35 -76.184924 0.0215
BFGS: 145 11:31:35 -76.185824 0.0205
BFGS: 146 11:31:35 -76.186697 0.0195
BFGS: 147 11:31:35 -76.187543 0.0186
BFGS: 148 11:31:35 -76.188363 0.0176
BFGS: 149 11:31:35 -76.189160 0.0167
BFGS: 150 11:31:35 -76.189934 0.0158
BFGS: 151 11:31:36 -76.190687 0.0149
BFGS: 152 11:31:36 -76.191421 0.0140
BFGS: 153 11:31:36 -76.192135 0.0132
BFGS: 154 11:31:36 -76.192832 0.0130
BFGS: 155 11:31:36 -76.193513 0.0128
BFGS: 156 11:31:36 -76.194180 0.0126
BFGS: 157 11:31:36 -76.194836 0.0125
BFGS: 158 11:31:36 -76.195482 0.0124
BFGS: 159 11:31:36 -76.196120 0.0123
BFGS: 160 11:31:36 -76.196751 0.0122
BFGS: 161 11:31:36 -76.197376 0.0121
BFGS: 162 11:31:36 -76.197997 0.0121
BFGS: 163 11:31:36 -76.198613 0.0120
BFGS: 164 11:31:36 -76.199226 0.0120
BFGS: 165 11:31:37 -76.199837 0.0120
BFGS: 166 11:31:37 -76.200446 0.0119
BFGS: 167 11:31:37 -76.201053 0.0119
BFGS: 168 11:31:37 -76.201661 0.0120
BFGS: 169 11:31:37 -76.202273 0.0120
BFGS: 170 11:31:37 -76.202890 0.0121
BFGS: 171 11:31:37 -76.203511 0.0122
BFGS: 172 11:31:37 -76.204138 0.0122
BFGS: 173 11:31:37 -76.204772 0.0123
BFGS: 174 11:31:37 -76.205413 0.0124
BFGS: 175 11:31:37 -76.206060 0.0125
BFGS: 176 11:31:37 -76.206716 0.0126
BFGS: 177 11:31:37 -76.207380 0.0127
BFGS: 178 11:31:37 -76.208053 0.0128
BFGS: 179 11:31:37 -76.208735 0.0129
BFGS: 180 11:31:37 -76.209427 0.0131
BFGS: 181 11:31:37 -76.210129 0.0133
BFGS: 182 11:31:38 -76.210842 0.0138
BFGS: 183 11:31:38 -76.211565 0.0143
BFGS: 184 11:31:38 -76.212301 0.0148
BFGS: 185 11:31:38 -76.213047 0.0153
BFGS: 186 11:31:38 -76.213806 0.0157
BFGS: 187 11:31:38 -76.214576 0.0162
BFGS: 188 11:31:38 -76.215362 0.0165
BFGS: 189 11:31:38 -76.216144 0.0178
BFGS: 190 11:31:38 -76.216936 0.0187
BFGS: 191 11:31:38 -76.217780 0.0184
BFGS: 192 11:31:38 -76.218626 0.0182
BFGS: 193 11:31:38 -76.219472 0.0185
BFGS: 194 11:31:38 -76.220331 0.0188
BFGS: 195 11:31:38 -76.221203 0.0192
BFGS: 196 11:31:38 -76.222088 0.0195
BFGS: 197 11:31:39 -76.222987 0.0199
BFGS: 198 11:31:39 -76.223899 0.0202
BFGS: 199 11:31:39 -76.224819 0.0204
BFGS: 200 11:31:39 -76.225745 0.0207
BFGS: 201 11:31:39 -76.226676 0.0210
BFGS: 202 11:31:39 -76.227611 0.0214
BFGS: 203 11:31:39 -76.228544 0.0217
BFGS: 204 11:31:39 -76.229474 0.0220
BFGS: 205 11:31:39 -76.230400 0.0223
BFGS: 206 11:31:39 -76.231322 0.0225
BFGS: 207 11:31:39 -76.232241 0.0228
BFGS: 208 11:31:39 -76.233155 0.0230
BFGS: 209 11:31:39 -76.234065 0.0232
BFGS: 210 11:31:39 -76.234970 0.0234
BFGS: 211 11:31:39 -76.235870 0.0236
BFGS: 212 11:31:40 -76.236764 0.0238
BFGS: 213 11:31:40 -76.237654 0.0239
BFGS: 214 11:31:40 -76.238537 0.0241
BFGS: 215 11:31:40 -76.239414 0.0242
BFGS: 216 11:31:40 -76.240285 0.0243
BFGS: 217 11:31:40 -76.241148 0.0245
BFGS: 218 11:31:40 -76.242004 0.0245
BFGS: 219 11:31:40 -76.242853 0.0246
BFGS: 220 11:31:40 -76.243693 0.0247
BFGS: 221 11:31:40 -76.244525 0.0248
BFGS: 222 11:31:40 -76.245348 0.0248
BFGS: 223 11:31:40 -76.246161 0.0248
BFGS: 224 11:31:40 -76.246964 0.0248
BFGS: 225 11:31:40 -76.247757 0.0248
BFGS: 226 11:31:41 -76.248540 0.0248
BFGS: 227 11:31:41 -76.249311 0.0247
BFGS: 228 11:31:41 -76.250070 0.0247
BFGS: 229 11:31:41 -76.250817 0.0246
BFGS: 230 11:31:41 -76.251551 0.0245
BFGS: 231 11:31:41 -76.252272 0.0244
BFGS: 232 11:31:41 -76.252979 0.0243
BFGS: 233 11:31:41 -76.253671 0.0241
BFGS: 234 11:31:41 -76.254348 0.0239
BFGS: 235 11:31:41 -76.255010 0.0237
BFGS: 236 11:31:41 -76.255656 0.0235
BFGS: 237 11:31:41 -76.256284 0.0232
BFGS: 238 11:31:41 -76.256896 0.0229
BFGS: 239 11:31:41 -76.257489 0.0226
BFGS: 240 11:31:41 -76.258063 0.0223
BFGS: 241 11:31:41 -76.258618 0.0219
BFGS: 242 11:31:41 -76.259154 0.0215
BFGS: 243 11:31:41 -76.259668 0.0211
BFGS: 244 11:31:42 -76.260161 0.0207
BFGS: 245 11:31:42 -76.260632 0.0202
BFGS: 246 11:31:42 -76.261080 0.0196
BFGS: 247 11:31:42 -76.261504 0.0190
BFGS: 248 11:31:42 -76.261904 0.0184
BFGS: 249 11:31:42 -76.262279 0.0177
BFGS: 250 11:31:42 -76.262629 0.0170
BFGS: 251 11:31:42 -76.262951 0.0162
BFGS: 252 11:31:42 -76.263246 0.0153
BFGS: 253 11:31:42 -76.263513 0.0144
BFGS: 254 11:31:42 -76.263754 0.0133
BFGS: 255 11:31:42 -76.263968 0.0122
BFGS: 256 11:31:42 -76.264153 0.0110
BFGS: 257 11:31:42 -76.264310 0.0097
BFGS: 258 11:31:42 -76.264444 0.0080
BFGS: 259 11:31:42 -76.264566 0.0056
BFGS: 260 11:31:42 -76.264664 0.0039
BFGS: 261 11:31:42 -76.264866 0.0028
BFGS: 262 11:31:42 -76.264975 0.0020
BFGS: 263 11:31:43 -76.265042 0.0020
BFGS: 264 11:31:43 -76.265079 0.0019
BFGS: 265 11:31:43 -76.265088 0.0015
BFGS: 266 11:31:43 -76.265091 0.0013
BFGS: 267 11:31:43 -76.265095 0.0005
BFGS: 268 11:31:43 -76.265096 0.0002
BFGS: 269 11:31:43 -76.265097 0.0001
BFGS: 270 11:31:43 -76.265097 0.0001
BFGS: 271 11:31:43 -76.265097 0.0001
BFGS: 272 11:31:43 -76.265097 0.0000
BFGS: 273 11:31:43 -76.265097 0.0000
BFGS: 274 11:31:43 -76.265097 0.0000
BFGS: 275 11:31:43 -76.265097 0.0000
BFGS: 276 11:31:43 -76.265097 0.0000
BFGS: 277 11:31:43 -76.265097 0.0000
BFGS: 278 11:31:43 -76.265097 0.0000
BFGS: 279 11:31:43 -76.265097 0.0000
Minimization converged after 279 steps.
Maximum force component: 3.0869629142867574e-09 eV/Angstrom
Maximum stress component: 8.368694181740291e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis = [[5.00000000e-01 1.00000000e+00 5.00000000e-01]
[5.58078002e-16 5.00000000e-01 5.00000000e-01]
[5.00000000e-01 5.00000000e-01 5.00000000e-01]
[1.66666667e-01 3.33333333e-01 8.33333333e-01]
[6.66666667e-01 8.33333333e-01 8.33333333e-01]
[1.66666667e-01 8.33333333e-01 8.33333333e-01]
[8.33333333e-01 6.66666667e-01 1.66666667e-01]
[3.33333333e-01 1.66666667e-01 1.66666667e-01]
[8.33333333e-01 1.66666667e-01 1.66666667e-01]
[5.00000000e-01 1.86483240e-28 5.05355882e-32]
[5.58078002e-16 5.00000000e-01 0.00000000e+00]
[5.00000000e-01 5.00000000e-01 0.00000000e+00]
[1.66666667e-01 3.33333333e-01 3.33333333e-01]
[6.66666667e-01 8.33333333e-01 3.33333333e-01]
[1.66666667e-01 8.33333333e-01 3.33333333e-01]
[8.33333333e-01 6.66666667e-01 6.66666667e-01]
[3.33333333e-01 1.66666667e-01 6.66666667e-01]
[8.33333333e-01 1.66666667e-01 6.66666667e-01]
[8.30783072e-01 1.74729021e-01 3.70947139e-01]
[8.25270979e-01 6.56054051e-01 3.70947139e-01]
[3.43945949e-01 1.69216928e-01 3.70947139e-01]
[4.97449738e-01 5.08062354e-01 7.04280472e-01]
[4.91937646e-01 9.89387384e-01 7.04280472e-01]
[1.06126156e-02 5.02550262e-01 7.04280472e-01]
[1.64116405e-01 8.41395687e-01 3.76138053e-02]
[1.58604313e-01 3.22720718e-01 3.76138053e-02]
[6.77279282e-01 8.35883595e-01 3.76138053e-02]
[1.69216928e-01 8.25270979e-01 6.29052861e-01]
[1.74729021e-01 3.43945949e-01 6.29052861e-01]
[6.56054051e-01 8.30783072e-01 6.29052861e-01]
[8.35883595e-01 1.58604313e-01 9.62386195e-01]
[8.41395687e-01 6.77279282e-01 9.62386195e-01]
[3.22720718e-01 1.64116405e-01 9.62386195e-01]
[5.02550262e-01 4.91937646e-01 2.95719528e-01]
[5.08062354e-01 1.06126156e-02 2.95719528e-01]
[9.89387384e-01 4.97449738e-01 2.95719528e-01]
[2.81035897e-03 3.56008121e-01 3.61033519e-01]
[6.43991879e-01 6.46802238e-01 3.61033519e-01]
[3.53197762e-01 9.97189641e-01 3.61033519e-01]
[6.69477026e-01 6.89341454e-01 6.94366853e-01]
[3.10658546e-01 9.80135571e-01 6.94366853e-01]
[1.98644287e-02 3.30522974e-01 6.94366853e-01]
[3.36143692e-01 2.26747877e-02 2.77001860e-02]
[9.77325212e-01 3.13468905e-01 2.77001860e-02]
[6.86531095e-01 6.63856308e-01 2.77001860e-02]
[9.97189641e-01 6.43991879e-01 6.38966481e-01]
[3.56008121e-01 3.53197762e-01 6.38966481e-01]
[6.46802238e-01 2.81035897e-03 6.38966481e-01]
[6.63856308e-01 9.77325212e-01 9.72299814e-01]
[2.26747877e-02 6.86531095e-01 9.72299814e-01]
[3.13468905e-01 3.36143692e-01 9.72299814e-01]
[3.30522974e-01 3.10658546e-01 3.05633147e-01]
[6.89341454e-01 1.98644287e-02 3.05633147e-01]
[9.80135571e-01 6.69477026e-01 3.05633147e-01]]
cellpar = Cell([[8.753223186617197, 3.208259439145186e-12, 1.4555812988587669e-16], [-4.376611593311369, 7.580513644603863, 2.677570333369127e-16], [1.8615201211717183e-16, 1.4300377170869927e-15, 13.170943734555914]])
forces = [[-1.15084593e-30 -2.05976774e-29 3.46334753e-29]
[-9.20676742e-30 -3.37449393e-42 -1.53100157e-46]
[-1.94311921e-42 5.31552965e-30 2.38787213e-46]
[ 1.72626889e-29 -8.63773568e-30 1.15444918e-29]
[-3.06892247e-29 -1.12483131e-41 -5.10333858e-46]
[ 3.88623842e-42 -1.06310593e-29 -4.77574426e-46]
[ 7.77299897e-42 -2.12621186e-29 3.69423737e-29]
[-1.22756899e-29 -4.49932524e-42 -2.04133543e-46]
[-1.94311921e-42 5.31552965e-30 2.38787213e-46]
[ 2.65461794e-28 1.32888241e-29 2.61915657e-29]
[ 0.00000000e+00 0.00000000e+00 0.00000000e+00]
[ 7.51886006e-29 -1.72754714e-28 3.69423737e-29]
[-2.65461794e-28 -1.32888241e-29 -2.62276423e-29]
[ 2.45513798e-29 8.99865047e-42 4.08267087e-46]
[-7.59558312e-29 1.74083596e-28 -3.69423737e-29]
[ 1.84135348e-28 2.12621186e-29 3.69423737e-29]
[ 0.00000000e+00 0.00000000e+00 0.00000000e+00]
[ 9.82055192e-29 -1.70096949e-28 3.69423737e-29]
[-6.50639520e-10 1.19423321e-09 1.45123966e-09]
[-7.08916534e-10 -1.16058696e-09 1.45123966e-09]
[ 1.35955605e-09 -3.36462499e-11 1.45123966e-09]
[-6.50639520e-10 1.19423321e-09 1.45123966e-09]
[-7.08916534e-10 -1.16058696e-09 1.45123966e-09]
[ 1.35955605e-09 -3.36462499e-11 1.45123966e-09]
[-6.50639520e-10 1.19423321e-09 1.45123966e-09]
[-7.08916534e-10 -1.16058696e-09 1.45123966e-09]
[ 1.35955605e-09 -3.36462499e-11 1.45123966e-09]
[ 6.50639520e-10 -1.19423321e-09 -1.45123966e-09]
[ 7.08916534e-10 1.16058696e-09 -1.45123966e-09]
[-1.35955605e-09 3.36462499e-11 -1.45123966e-09]
[ 6.50639520e-10 -1.19423321e-09 -1.45123966e-09]
[ 7.08916534e-10 1.16058696e-09 -1.45123966e-09]
[-1.35955605e-09 3.36462499e-11 -1.45123966e-09]
[ 6.50639520e-10 -1.19423321e-09 -1.45123966e-09]
[ 7.08916534e-10 1.16058696e-09 -1.45123966e-09]
[-1.35955605e-09 3.36462499e-11 -1.45123966e-09]
[-2.08725848e-09 -2.35943849e-09 -6.95626243e-10]
[ 3.08696291e-09 -6.27899623e-10 -6.95626243e-10]
[-9.99704433e-10 2.98733812e-09 -6.95626243e-10]
[-2.08725848e-09 -2.35943849e-09 -6.95626243e-10]
[ 3.08696291e-09 -6.27899623e-10 -6.95626243e-10]
[-9.99704433e-10 2.98733812e-09 -6.95626243e-10]
[-2.08725848e-09 -2.35943849e-09 -6.95626243e-10]
[ 3.08696291e-09 -6.27899623e-10 -6.95626243e-10]
[-9.99704433e-10 2.98733812e-09 -6.95626243e-10]
[ 2.08725848e-09 2.35943849e-09 6.95626243e-10]
[-3.08696291e-09 6.27899623e-10 6.95626243e-10]
[ 9.99704433e-10 -2.98733812e-09 6.95626243e-10]
[ 2.08725848e-09 2.35943849e-09 6.95626243e-10]
[-3.08696291e-09 6.27899623e-10 6.95626243e-10]
[ 9.99704433e-10 -2.98733812e-09 6.95626243e-10]
[ 2.08725848e-09 2.35943849e-09 6.95626243e-10]
[-3.08696291e-09 6.27899623e-10 6.95626243e-10]
[ 9.99704433e-10 -2.98733812e-09 6.95626243e-10]]
stress = [ 8.36869418e-11 8.36869418e-11 -8.41593156e-12 -1.08930107e-26
-1.79966288e-27 -5.51605268e-26]
energy per atom = -1.4123166047501992
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0