element(s): ['Mg', 'Sn'] AFLOW prototype label: A9B5_hR28_146_6b_4a2b Parameter names: ['a', 'c/a', 'x1', 'x2', 'x3', 'x4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['13.346083', '1.0095915', '0.35183049', '0.61209688', '0.11238031', '0.84986209', '0.91790387', '0.32505836', '0.0044670409', '0.072800302', '0.6812043', '0.99387127', '0.66620774', '0.5958848', '0.97124911', '0.32129492', '0.39558636', '0.020367536', '0.6527856', '0.74380218', '0.33673348', '0.34242458', '0.25611418', '0.65141272', '0.91093472', '0.58389237', '0.24925698', '0.081782045', '0.40933063', '0.74846514'] model name: MEAM_LAMMPS_KimJeonLee_2015_MgSn__MO_935641703527_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn'] representative atom coordinates = [[0.50209411 0.41134272 0.41580976] [0.49017501 0.58875402 0.58262529] [0.92176052 0.77319811 0.74444722] [0.07554532 0.22538207 0.24574961] [0.07501185 0.24104027 0.57777375] [0.92577409 0.76523777 0.41665049] [0. 0. 0.35183049] [0. 0. 0.61209688] [0. 0. 0.11238031] [0. 0. 0.84986209] [0.32957336 0.33210438 0.58136136] [0.66858944 0.66472747 0.4131926 ]] spacegroup = 146 cell = [[13.3461, 0, 0], [-6.67305, 11.558061641447, 0], [0, 0, 13.4741]] ========================================= Step Time Energy fmax BFGS: 0 16:07:24 -186.671982 0.810623 BFGS: 1 16:07:24 -186.830259 0.700356 BFGS: 2 16:07:25 -187.285988 0.323889 BFGS: 3 16:07:25 -187.440270 0.193359 BFGS: 4 16:07:25 -187.468392 0.254817 BFGS: 5 16:07:25 -187.504970 0.295742 BFGS: 6 16:07:25 -187.551458 0.289350 BFGS: 7 16:07:25 -187.590965 0.219729 BFGS: 8 16:07:25 -187.617669 0.164409 BFGS: 9 16:07:25 -187.639671 0.179365 BFGS: 10 16:07:25 -187.671119 0.193710 BFGS: 11 16:07:25 -187.716120 0.202826 BFGS: 12 16:07:26 -187.753742 0.150582 BFGS: 13 16:07:26 -187.773415 0.139973 BFGS: 14 16:07:26 -187.787674 0.133457 BFGS: 15 16:07:26 -187.809419 0.121864 BFGS: 16 16:07:26 -187.836122 0.121985 BFGS: 17 16:07:26 -187.857992 0.100047 BFGS: 18 16:07:26 -187.869602 0.095733 BFGS: 19 16:07:26 -187.876464 0.095323 BFGS: 20 16:07:26 -187.886775 0.092048 BFGS: 21 16:07:27 -187.901280 0.082708 BFGS: 22 16:07:27 -187.914927 0.114452 BFGS: 23 16:07:27 -187.925014 0.126031 BFGS: 24 16:07:27 -187.935035 0.109938 BFGS: 25 16:07:27 -187.946576 0.068824 BFGS: 26 16:07:27 -187.956740 0.058222 BFGS: 27 16:07:27 -187.962225 0.054859 BFGS: 28 16:07:28 -187.964326 0.050813 BFGS: 29 16:07:28 -187.965851 0.053731 BFGS: 30 16:07:28 -187.968244 0.057227 BFGS: 31 16:07:28 -187.970516 0.059016 BFGS: 32 16:07:28 -187.971741 0.057982 BFGS: 33 16:07:28 -187.972250 0.056065 BFGS: 34 16:07:28 -187.972734 0.053746 BFGS: 35 16:07:28 -187.973525 0.050044 BFGS: 36 16:07:29 -187.974487 0.045826 BFGS: 37 16:07:29 -187.975249 0.043160 BFGS: 38 16:07:29 -187.975714 0.042471 BFGS: 39 16:07:29 -187.976130 0.042271 BFGS: 40 16:07:29 -187.976712 0.041522 BFGS: 41 16:07:29 -187.977381 0.039641 BFGS: 42 16:07:30 -187.977921 0.037216 BFGS: 43 16:07:30 -187.978338 0.035247 BFGS: 44 16:07:31 -187.978841 0.033576 BFGS: 45 16:07:31 -187.979576 0.032241 BFGS: 46 16:07:31 -187.980387 0.031966 BFGS: 47 16:07:31 -187.980962 0.032752 BFGS: 48 16:07:31 -187.981318 0.033449 BFGS: 49 16:07:31 -187.981724 0.033486 BFGS: 50 16:07:31 -187.982405 0.031995 BFGS: 51 16:07:32 -187.983300 0.027932 BFGS: 52 16:07:32 -187.984063 0.022585 BFGS: 53 16:07:32 -187.984524 0.022195 BFGS: 54 16:07:32 -187.984912 0.021653 BFGS: 55 16:07:32 -187.985485 0.020975 BFGS: 56 16:07:32 -187.986258 0.020407 BFGS: 57 16:07:33 -187.986999 0.023388 BFGS: 58 16:07:33 -187.987535 0.023603 BFGS: 59 16:07:33 -187.988016 0.027177 BFGS: 60 16:07:33 -187.988650 0.030272 BFGS: 61 16:07:33 -187.989355 0.026581 BFGS: 62 16:07:33 -187.989857 0.021037 BFGS: 63 16:07:33 -187.990137 0.020363 BFGS: 64 16:07:34 -187.990386 0.019656 BFGS: 65 16:07:34 -187.990728 0.018747 BFGS: 66 16:07:34 -187.991083 0.017904 BFGS: 67 16:07:34 -187.991320 0.017468 BFGS: 68 16:07:34 -187.991459 0.017274 BFGS: 69 16:07:34 -187.991608 0.016910 BFGS: 70 16:07:35 -187.991837 0.015933 BFGS: 71 16:07:35 -187.992087 0.017230 BFGS: 72 16:07:35 -187.992253 0.014306 BFGS: 73 16:07:35 -187.992336 0.011901 BFGS: 74 16:07:35 -187.992406 0.011387 BFGS: 75 16:07:35 -187.992496 0.010838 BFGS: 76 16:07:35 -187.992584 0.010331 BFGS: 77 16:07:35 -187.992647 0.009969 BFGS: 78 16:07:36 -187.992698 0.009646 BFGS: 79 16:07:36 -187.992768 0.009291 BFGS: 80 16:07:36 -187.992871 0.010072 BFGS: 81 16:07:36 -187.992972 0.009061 BFGS: 82 16:07:36 -187.993033 0.006880 BFGS: 83 16:07:36 -187.993069 0.005500 BFGS: 84 16:07:37 -187.993110 0.005489 BFGS: 85 16:07:37 -187.993169 0.005251 BFGS: 86 16:07:37 -187.993225 0.006170 BFGS: 87 16:07:37 -187.993254 0.005519 BFGS: 88 16:07:37 -187.993266 0.004354 BFGS: 89 16:07:37 -187.993278 0.004552 BFGS: 90 16:07:37 -187.993299 0.004217 BFGS: 91 16:07:37 -187.993324 0.003676 BFGS: 92 16:07:38 -187.993339 0.002599 BFGS: 93 16:07:38 -187.993345 0.001983 BFGS: 94 16:07:38 -187.993348 0.001872 BFGS: 95 16:07:38 -187.993353 0.001829 BFGS: 96 16:07:38 -187.993360 0.001461 BFGS: 97 16:07:38 -187.993365 0.000983 BFGS: 98 16:07:38 -187.993367 0.000699 BFGS: 99 16:07:38 -187.993367 0.000651 BFGS: 100 16:07:38 -187.993367 0.000681 BFGS: 101 16:07:38 -187.993368 0.000632 BFGS: 102 16:07:38 -187.993369 0.000612 BFGS: 103 16:07:38 -187.993369 0.000376 BFGS: 104 16:07:39 -187.993369 0.000134 BFGS: 105 16:07:39 -187.993369 0.000095 BFGS: 106 16:07:39 -187.993369 0.000092 BFGS: 107 16:07:39 -187.993369 0.000073 BFGS: 108 16:07:39 -187.993369 0.000050 BFGS: 109 16:07:39 -187.993369 0.000050 BFGS: 110 16:07:39 -187.993369 0.000045 BFGS: 111 16:07:39 -187.993369 0.000038 BFGS: 112 16:07:39 -187.993369 0.000026 BFGS: 113 16:07:39 -187.993369 0.000022 BFGS: 114 16:07:39 -187.993369 0.000015 BFGS: 115 16:07:40 -187.993369 0.000015 BFGS: 116 16:07:40 -187.993369 0.000013 BFGS: 117 16:07:40 -187.993369 0.000011 BFGS: 118 16:07:40 -187.993369 0.000009 BFGS: 119 16:07:40 -187.993369 0.000006 BFGS: 120 16:07:40 -187.993369 0.000005 BFGS: 121 16:07:40 -187.993369 0.000004 BFGS: 122 16:07:40 -187.993369 0.000003 BFGS: 123 16:07:40 -187.993369 0.000003 BFGS: 124 16:07:41 -187.993369 0.000002 BFGS: 125 16:07:41 -187.993369 0.000001 BFGS: 126 16:07:41 -187.993369 0.000002 BFGS: 127 16:07:41 -187.993369 0.000002 BFGS: 128 16:07:41 -187.993369 0.000001 BFGS: 129 16:07:41 -187.993369 0.000001 BFGS: 130 16:07:41 -187.993369 0.000001 BFGS: 131 16:07:41 -187.993369 0.000001 BFGS: 132 16:07:42 -187.993369 0.000001 BFGS: 133 16:07:42 -187.993369 0.000001 BFGS: 134 16:07:42 -187.993369 0.000001 BFGS: 135 16:07:42 -187.993369 0.000001 BFGS: 136 16:07:42 -187.993369 0.000001 BFGS: 137 16:07:42 -187.993369 0.000001 BFGS: 138 16:07:42 -187.993369 0.000001 BFGS: 139 16:07:42 -187.993369 0.000001 BFGS: 140 16:07:42 -187.993369 0.000000 BFGS: 141 16:07:43 -187.993369 0.000000 BFGS: 142 16:07:43 -187.993369 0.000000 BFGS: 143 16:07:43 -187.993369 0.000000 BFGS: 144 16:07:43 -187.993369 0.000000 BFGS: 145 16:07:43 -187.993369 0.000000 BFGS: 146 16:07:43 -187.993369 0.000000 BFGS: 147 16:07:43 -187.993369 0.000000 BFGS: 148 16:07:43 -187.993369 0.000000 BFGS: 149 16:07:43 -187.993369 0.000000 BFGS: 150 16:07:44 -187.993369 0.000000 BFGS: 151 16:07:44 -187.993369 0.000000 BFGS: 152 16:07:44 -187.993369 0.000000 BFGS: 153 16:07:44 -187.993369 0.000000 BFGS: 154 16:07:44 -187.993369 0.000000 BFGS: 155 16:07:44 -187.993369 0.000000 BFGS: 156 16:07:44 -187.993369 0.000000 BFGS: 157 16:07:44 -187.993369 0.000000 BFGS: 158 16:07:44 -187.993369 0.000000 BFGS: 159 16:07:45 -187.993369 0.000000 BFGS: 160 16:07:45 -187.993369 0.000000 BFGS: 161 16:07:45 -187.993369 0.000000 BFGS: 162 16:07:45 -187.993369 0.000000 BFGS: 163 16:07:45 -187.993369 0.000000 BFGS: 164 16:07:45 -187.993369 0.000000 BFGS: 165 16:07:45 -187.993369 0.000000 BFGS: 166 16:07:45 -187.993369 0.000000 BFGS: 167 16:07:45 -187.993369 0.000000 BFGS: 168 16:07:45 -187.993369 0.000000 BFGS: 169 16:07:46 -187.993369 0.000000 BFGS: 170 16:07:46 -187.993369 0.000000 BFGS: 171 16:07:46 -187.993369 0.000000 BFGS: 172 16:07:46 -187.993369 0.000000 BFGS: 173 16:07:46 -187.993369 0.000000 BFGS: 174 16:07:46 -187.993369 0.000000 BFGS: 175 16:07:46 -187.993369 0.000000 BFGS: 176 16:07:46 -187.993369 0.000000 BFGS: 177 16:07:46 -187.993369 0.000000 BFGS: 178 16:07:46 -187.993369 0.000000 BFGS: 179 16:07:47 -187.993369 0.000000 BFGS: 180 16:07:47 -187.993369 0.000000 BFGS: 181 16:07:47 -187.993369 0.000000 BFGS: 182 16:07:47 -187.993369 0.000000 BFGS: 183 16:07:47 -187.993369 0.000000 BFGS: 184 16:07:47 -187.993369 0.000000 BFGS: 185 16:07:47 -187.993369 0.000000 BFGS: 186 16:07:47 -187.993369 0.000000 BFGS: 187 16:07:47 -187.993369 0.000000 BFGS: 188 16:07:47 -187.993369 0.000000 BFGS: 189 16:07:48 -187.993369 0.000000 BFGS: 190 16:07:48 -187.993369 0.000000 BFGS: 191 16:07:48 -187.993369 0.000000 BFGS: 192 16:07:48 -187.993369 0.000000 BFGS: 193 16:07:48 -187.993369 0.000000 BFGS: 194 16:07:48 -187.993369 0.000000 BFGS: 195 16:07:48 -187.993369 0.000000 BFGS: 196 16:07:48 -187.993369 0.000000 BFGS: 197 16:07:48 -187.993369 0.000000 BFGS: 198 16:07:49 -187.993369 0.000000 BFGS: 199 16:07:49 -187.993369 0.000000 BFGS: 200 16:07:49 -187.993369 0.000000 BFGS: 201 16:07:49 -187.993369 0.000000 BFGS: 202 16:07:49 -187.993369 0.000000 BFGS: 203 16:07:49 -187.993369 0.000000 BFGS: 204 16:07:49 -187.993369 0.000000 BFGS: 205 16:07:49 -187.993369 0.000000 BFGS: 206 16:07:49 -187.993369 0.000000 BFGS: 207 16:07:50 -187.993369 0.000000 BFGS: 208 16:07:50 -187.993369 0.000000 BFGS: 209 16:07:50 -187.993369 0.000000 BFGS: 210 16:07:50 -187.993369 0.000000 BFGS: 211 16:07:50 -187.993369 0.000000 BFGS: 212 16:07:50 -187.993369 0.000000 BFGS: 213 16:07:50 -187.993369 0.000000 BFGS: 214 16:07:50 -187.993369 0.000000 BFGS: 215 16:07:50 -187.993369 0.000000 BFGS: 216 16:07:50 -187.993369 0.000000 BFGS: 217 16:07:50 -187.993369 0.000000 BFGS: 218 16:07:51 -187.993369 0.000000 BFGS: 219 16:07:51 -187.993369 0.000000 BFGS: 220 16:07:51 -187.993369 0.000000 BFGS: 221 16:07:51 -187.993369 0.000000 BFGS: 222 16:07:51 -187.993369 0.000000 BFGS: 223 16:07:51 -187.993369 0.000000 BFGS: 224 16:07:51 -187.993369 0.000000 BFGS: 225 16:07:51 -187.993369 0.000000 BFGS: 226 16:07:51 -187.993369 0.000000 BFGS: 227 16:07:51 -187.993369 0.000000 BFGS: 228 16:07:52 -187.993369 0.000000 BFGS: 229 16:07:52 -187.993369 0.000000 BFGS: 230 16:07:52 -187.993369 0.000000 BFGS: 231 16:07:52 -187.993369 0.000000 BFGS: 232 16:07:52 -187.993369 0.000000 BFGS: 233 16:07:52 -187.993369 0.000000 BFGS: 234 16:07:52 -187.993369 0.000000 Minimization converged after 234 steps. Maximum force component: 7.401802027147889e-09 eV/Angstrom Maximum stress component: 1.6220030607336883e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn'] basis = [[4.97303175e-01 4.08768334e-01 4.20037186e-01] [5.91231666e-01 8.85348401e-02 4.20037186e-01] [9.11465160e-01 5.02696825e-01 4.20037186e-01] [1.63969841e-01 7.42101668e-01 7.53370520e-01] [2.57898332e-01 4.21868173e-01 7.53370520e-01] [5.78131827e-01 8.36030159e-01 7.53370520e-01] [8.30636508e-01 7.54350011e-02 8.67038529e-02] [9.24564999e-01 7.55201507e-01 8.67038529e-02] [2.44798493e-01 1.69363492e-01 8.67038529e-02] [4.82310050e-01 5.80152075e-01 5.86120344e-01] [4.19847925e-01 9.02157975e-01 5.86120344e-01] [9.78420253e-02 5.17689950e-01 5.86120344e-01] [1.48976717e-01 9.13485409e-01 9.19453677e-01] [8.65145913e-02 2.35491308e-01 9.19453677e-01] [7.64508692e-01 8.51023283e-01 9.19453677e-01] [8.15643383e-01 2.46818742e-01 2.52787010e-01] [7.53181258e-01 5.68824641e-01 2.52787010e-01] [4.31175359e-01 1.84356617e-01 2.52787010e-01] [9.13485409e-01 7.64508692e-01 7.49046324e-01] [2.35491308e-01 1.48976717e-01 7.49046324e-01] [8.51023283e-01 8.65145913e-02 7.49046324e-01] [5.80152075e-01 9.78420251e-02 8.23796569e-02] [9.02157975e-01 4.82310050e-01 8.23796569e-02] [5.17689950e-01 4.19847925e-01 8.23796569e-02] [2.46818742e-01 4.31175358e-01 4.15712990e-01] [5.68824642e-01 8.15643384e-01 4.15712990e-01] [1.84356616e-01 7.53181258e-01 4.15712990e-01] [7.98671512e-02 2.35014703e-01 2.52466612e-01] [7.64985297e-01 8.44852448e-01 2.52466612e-01] [1.55147552e-01 9.20132849e-01 2.52466612e-01] [7.46533818e-01 5.68348036e-01 5.85799946e-01] [4.31651964e-01 1.78185782e-01 5.85799946e-01] [8.21814218e-01 2.53466182e-01 5.85799946e-01] [4.13200485e-01 9.01681370e-01 9.19133279e-01] [9.83186305e-02 5.11519115e-01 9.19133279e-01] [4.88480885e-01 5.86799515e-01 9.19133279e-01] [7.54350013e-02 2.44798493e-01 5.81796148e-01] [7.55201507e-01 8.30636508e-01 5.81796148e-01] [1.69363492e-01 9.24564999e-01 5.81796148e-01] [7.42101668e-01 5.78131827e-01 9.15129481e-01] [4.21868173e-01 1.63969841e-01 9.15129481e-01] [8.36030159e-01 2.57898332e-01 9.15129481e-01] [4.08768335e-01 9.11465160e-01 2.48462815e-01] [8.85348399e-02 4.97303175e-01 2.48462815e-01] [5.02696825e-01 5.91231665e-01 2.48462815e-01] [9.20132849e-01 7.64985297e-01 4.16033388e-01] [2.35014703e-01 1.55147552e-01 4.16033388e-01] [8.44852448e-01 7.98671515e-02 4.16033388e-01] [5.86799515e-01 9.83186303e-02 7.49366721e-01] [9.01681370e-01 4.88480885e-01 7.49366721e-01] [5.11519115e-01 4.13200485e-01 7.49366721e-01] [2.53466182e-01 4.31651964e-01 8.27000548e-02] [5.68348036e-01 8.21814218e-01 8.27000548e-02] [1.78185782e-01 7.46533818e-01 8.27000548e-02] [6.14020260e-17 1.00000000e+00 3.34250000e-01] [6.66666667e-01 3.33333333e-01 6.67583334e-01] [3.33333333e-01 6.66666667e-01 9.16667139e-04] [6.14020260e-17 1.00000000e+00 5.83423879e-01] [6.66666667e-01 3.33333333e-01 9.16757212e-01] [3.33333333e-01 6.66666667e-01 2.50090545e-01] [6.14020260e-17 1.00000000e+00 8.50761221e-02] [6.66666667e-01 3.33333333e-01 4.18409455e-01] [3.33333333e-01 6.66666667e-01 7.51742789e-01] [6.14020260e-17 1.00000000e+00 8.34250000e-01] [6.66666667e-01 3.33333333e-01 1.67583334e-01] [3.33333333e-01 6.66666667e-01 5.00916667e-01] [3.25560598e-01 3.26535217e-01 5.84180630e-01] [6.73464783e-01 9.99025381e-01 5.84180630e-01] [9.74618804e-04 6.74439402e-01 5.84180630e-01] [9.92227265e-01 6.59868551e-01 9.17513963e-01] [3.40131449e-01 3.32358715e-01 9.17513963e-01] [6.67641285e-01 7.77273493e-03 9.17513963e-01] [6.58893932e-01 9.93201884e-01 2.50847297e-01] [6.79811613e-03 6.65692048e-01 2.50847297e-01] [3.34307952e-01 3.41106068e-01 2.50847297e-01] [6.65692048e-01 6.58893932e-01 4.17652704e-01] [3.41106068e-01 6.79811608e-03 4.17652704e-01] [9.93201884e-01 3.34307952e-01 4.17652704e-01] [3.32358714e-01 9.92227265e-01 7.50986037e-01] [7.77273492e-03 3.40131449e-01 7.50986037e-01] [6.59868551e-01 6.67641286e-01 7.50986037e-01] [9.99025381e-01 3.25560598e-01 8.43193707e-02] [6.74439402e-01 6.73464783e-01 8.43193707e-02] [3.26535217e-01 9.74618842e-04 8.43193707e-02]] cellpar = Cell([[13.35499610255237, 1.8315505992054646e-13, 1.6324630661559086e-39], [-6.67749805127634, 11.56576589225243, 3.683746186678149e-38], [1.646873810695249e-39, -3.6876792563627705e-37, 13.281225864152281]]) forces = [[-2.66732576e-09 1.30665973e-09 -5.43437879e-09] [ 2.02062361e-10 -2.96330173e-09 -5.43437879e-09] [ 2.46526340e-09 1.65664200e-09 -5.43437879e-09] [-2.66732576e-09 1.30665973e-09 -5.43437879e-09] [ 2.02062361e-10 -2.96330173e-09 -5.43437879e-09] [ 2.46526340e-09 1.65664200e-09 -5.43437879e-09] [-2.66732576e-09 1.30665973e-09 -5.43437879e-09] [ 2.02062361e-10 -2.96330173e-09 -5.43437879e-09] [ 2.46526340e-09 1.65664200e-09 -5.43437879e-09] [ 3.81236684e-09 -2.09046816e-09 3.15208787e-09] [-9.57848875e-11 4.34684061e-09 3.15208787e-09] [-3.71658195e-09 -2.25637245e-09 3.15208787e-09] [ 3.81236684e-09 -2.09046816e-09 3.15208787e-09] [-9.57848875e-11 4.34684061e-09 3.15208787e-09] [-3.71658195e-09 -2.25637245e-09 3.15208787e-09] [ 3.81236684e-09 -2.09046816e-09 3.15208787e-09] [-9.57848875e-11 4.34684061e-09 3.15208787e-09] [-3.71658195e-09 -2.25637245e-09 3.15208787e-09] [-1.51094707e-09 5.61325290e-10 3.49629438e-09] [ 2.69351575e-10 -1.58918119e-09 3.49629438e-09] [ 1.24159550e-09 1.02785590e-09 3.49629438e-09] [-1.51094707e-09 5.61325290e-10 3.49629438e-09] [ 2.69351575e-10 -1.58918119e-09 3.49629438e-09] [ 1.24159550e-09 1.02785590e-09 3.49629438e-09] [-1.51094707e-09 5.61325290e-10 3.49629438e-09] [ 2.69351575e-10 -1.58918119e-09 3.49629438e-09] [ 1.24159550e-09 1.02785590e-09 3.49629438e-09] [ 6.57939264e-09 -1.06652471e-09 -1.50149590e-09] [-2.36605883e-09 6.23118352e-09 -1.50149590e-09] [-4.21333381e-09 -5.16465881e-09 -1.50149590e-09] [ 6.57939264e-09 -1.06652471e-09 -1.50149590e-09] [-2.36605883e-09 6.23118352e-09 -1.50149590e-09] [-4.21333381e-09 -5.16465881e-09 -1.50149590e-09] [ 6.57939264e-09 -1.06652471e-09 -1.50149590e-09] [-2.36605883e-09 6.23118352e-09 -1.50149590e-09] [-4.21333381e-09 -5.16465881e-09 -1.50149590e-09] [-4.47911391e-09 -2.99433929e-09 -4.17722433e-09] [ 4.83273084e-09 -2.38185679e-09 -4.17722433e-09] [-3.53616936e-10 5.37619607e-09 -4.17722433e-09] [-4.47911391e-09 -2.99433929e-09 -4.17722433e-09] [ 4.83273084e-09 -2.38185679e-09 -4.17722433e-09] [-3.53616936e-10 5.37619607e-09 -4.17722433e-09] [-4.47911391e-09 -2.99433929e-09 -4.17722433e-09] [ 4.83273084e-09 -2.38185679e-09 -4.17722433e-09] [-3.53616936e-10 5.37619607e-09 -4.17722433e-09] [-1.65823349e-09 6.20563416e-09 7.40180203e-09] [-4.54512008e-09 -4.53888941e-09 7.40180203e-09] [ 6.20335357e-09 -1.66674475e-09 7.40180203e-09] [-1.65823349e-09 6.20563416e-09 7.40180203e-09] [-4.54512008e-09 -4.53888941e-09 7.40180203e-09] [ 6.20335357e-09 -1.66674475e-09 7.40180203e-09] [-1.65823349e-09 6.20563416e-09 7.40180203e-09] [-4.54512008e-09 -4.53888941e-09 7.40180203e-09] [ 6.20335357e-09 -1.66674475e-09 7.40180203e-09] [-5.81837261e-49 1.30284979e-46 -4.69223084e-09] [-5.81837261e-49 1.30284979e-46 -4.69223084e-09] [-5.81837261e-49 1.30284979e-46 -4.69223084e-09] [ 2.71486320e-49 -6.07912073e-47 2.18940341e-09] [ 2.71486320e-49 -6.07912073e-47 2.18940341e-09] [ 2.71486320e-49 -6.07912073e-47 2.18940341e-09] [-1.46322699e-31 2.53438349e-31 -4.11526302e-09] [-5.10293174e-49 1.14264829e-46 -4.11526302e-09] [ 3.65806747e-32 -6.33595872e-32 -4.11526302e-09] [ 4.60115319e-49 -1.03029006e-46 3.71060335e-09] [ 4.60115319e-49 -1.03029006e-46 3.71060335e-09] [ 4.60115319e-49 -1.03029006e-46 3.71060335e-09] [-1.38891299e-09 7.66271554e-10 -7.10792153e-10] [ 3.08458629e-11 -1.58596971e-09 -7.10792153e-10] [ 1.35806713e-09 8.19698156e-10 -7.10792153e-10] [-1.38891299e-09 7.66271554e-10 -7.10792153e-10] [ 3.08458629e-11 -1.58596971e-09 -7.10792153e-10] [ 1.35806713e-09 8.19698156e-10 -7.10792153e-10] [-1.38891299e-09 7.66271554e-10 -7.10792153e-10] [ 3.08458629e-11 -1.58596971e-09 -7.10792153e-10] [ 1.35806713e-09 8.19698156e-10 -7.10792153e-10] [ 9.34149359e-10 -1.75597840e-09 -1.25713078e-09] [ 1.05364723e-09 1.68698628e-09 -1.25713078e-09] [-1.98779659e-09 6.89921265e-11 -1.25713078e-09] [ 9.34149359e-10 -1.75597840e-09 -1.25713078e-09] [ 1.05364723e-09 1.68698628e-09 -1.25713078e-09] [-1.98779659e-09 6.89921265e-11 -1.25713078e-09] [ 9.34149359e-10 -1.75597840e-09 -1.25713078e-09] [ 1.05364723e-09 1.68698628e-09 -1.25713078e-09] [-1.98779659e-09 6.89921265e-11 -1.25713078e-09]] stress = [ 3.92251082e-12 3.92251082e-12 -1.62200306e-11 8.22560864e-49 2.30418604e-49 -1.79140537e-27] energy per atom = -2.238016302843257 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A9B5_hR28_146_6b_4a2b, while relaxed is A9B5_hR28_148_3f_abcf. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.