element(s): ['Li', 'Si'] AFLOW prototype label: A7B3_hP60_153_2a6c_3c Parameter names: ['a', 'c/a', 'x1', 'x2', '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'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['7.5848', '2.3700295', '0.77786139', '0.10982688', '0.44448016', '0.88666115', '0.46815691', '0.44350373', '0.86686631', '0.62200473', '0.4445024', '0.21928227', '0.15024028', '0.44486045', '0.19830003', '0.29313529', '0.11166159', '0.88595371', '0.81718562', '0.11227682', '0.86453177', '0.96018553', '0.4493283', '0.90661889', '0.76744362', '0.44374166', '0.23094428', '0.4346806', '0.10642953', '0.90191251', '0.10121132'] model name: MEAM_LAMMPS_CuiGaoCui_2012_LiSi__MO_557492625287_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.22213861 0.77786139 0.66666667] [0.89017312 0.10982688 0.66666667] [0.55781901 0.44448016 0.80149024] [0.57663742 0.44350373 0.95533806] [0.22522013 0.4445024 0.48357361] [0.24656042 0.44486045 0.62646862] [0.22570788 0.11166159 0.15051895] [0.24774505 0.11227682 0.29351886] [0.54270941 0.4493283 0.10077695] [0.21279738 0.44374166 0.76801393] [0.20451702 0.10642953 0.43454465]] spacegroup = 153 cell = [[7.5848, 0, 0], [-3.7924, 6.5686294826242, 0], [0, 0, 17.9762]] ========================================= Step Time Energy fmax BFGS: 0 17:02:59 -155.395792 2.1468 BFGS: 1 17:03:00 -156.556023 1.1887 BFGS: 2 17:03:00 -157.865155 1.0922 BFGS: 3 17:03:00 -158.595583 0.8719 BFGS: 4 17:03:00 -159.055497 0.7049 BFGS: 5 17:03:00 -159.355128 0.6884 BFGS: 6 17:03:00 -159.535895 0.4976 BFGS: 7 17:03:00 -159.659409 0.2743 BFGS: 8 17:03:00 -159.683570 0.2935 BFGS: 9 17:03:00 -159.700328 0.2991 BFGS: 10 17:03:00 -159.731006 0.2959 BFGS: 11 17:03:00 -159.759721 0.2822 BFGS: 12 17:03:00 -159.781807 0.2642 BFGS: 13 17:03:00 -159.797081 0.2503 BFGS: 14 17:03:00 -159.811722 0.2413 BFGS: 15 17:03:00 -159.828358 0.2380 BFGS: 16 17:03:00 -159.843619 0.2419 BFGS: 17 17:03:00 -159.853182 0.2488 BFGS: 18 17:03:00 -159.859593 0.2531 BFGS: 19 17:03:00 -159.866252 0.2532 BFGS: 20 17:03:00 -159.874848 0.2471 BFGS: 21 17:03:00 -159.883896 0.2366 BFGS: 22 17:03:00 -159.892955 0.2252 BFGS: 23 17:03:00 -159.902032 0.2142 BFGS: 24 17:03:00 -159.911093 0.2040 BFGS: 25 17:03:00 -159.920108 0.1945 BFGS: 26 17:03:00 -159.929022 0.1855 BFGS: 27 17:03:00 -159.937766 0.1770 BFGS: 28 17:03:00 -159.946270 0.1690 BFGS: 29 17:03:00 -159.954474 0.1612 BFGS: 30 17:03:00 -159.962331 0.1537 BFGS: 31 17:03:00 -159.969814 0.1464 BFGS: 32 17:03:00 -159.976914 0.1393 BFGS: 33 17:03:00 -159.983633 0.1324 BFGS: 34 17:03:00 -159.989989 0.1256 BFGS: 35 17:03:00 -159.996003 0.1188 BFGS: 36 17:03:00 -160.001705 0.1121 BFGS: 37 17:03:00 -160.007125 0.1055 BFGS: 38 17:03:00 -160.012296 0.0993 BFGS: 39 17:03:00 -160.017250 0.0996 BFGS: 40 17:03:00 -160.022014 0.0997 BFGS: 41 17:03:01 -160.026616 0.0996 BFGS: 42 17:03:01 -160.031078 0.0992 BFGS: 43 17:03:01 -160.035424 0.0986 BFGS: 44 17:03:01 -160.039677 0.0977 BFGS: 45 17:03:01 -160.043857 0.0964 BFGS: 46 17:03:01 -160.047984 0.0947 BFGS: 47 17:03:01 -160.052077 0.0923 BFGS: 48 17:03:01 -160.056150 0.0889 BFGS: 49 17:03:01 -160.060201 0.0839 BFGS: 50 17:03:01 -160.064211 0.0764 BFGS: 51 17:03:01 -160.068145 0.0698 BFGS: 52 17:03:01 -160.071982 0.0610 BFGS: 53 17:03:01 -160.075097 0.0480 BFGS: 54 17:03:01 -160.077662 0.0512 BFGS: 55 17:03:01 -160.080226 0.0522 BFGS: 56 17:03:01 -160.081657 0.0454 BFGS: 57 17:03:01 -160.082519 0.0359 BFGS: 58 17:03:01 -160.083699 0.0215 BFGS: 59 17:03:01 -160.084958 0.0191 BFGS: 60 17:03:01 -160.085730 0.0216 BFGS: 61 17:03:01 -160.086143 0.0184 BFGS: 62 17:03:01 -160.086319 0.0183 BFGS: 63 17:03:01 -160.086546 0.0181 BFGS: 64 17:03:01 -160.086731 0.0179 BFGS: 65 17:03:01 -160.086846 0.0177 BFGS: 66 17:03:01 -160.086911 0.0175 BFGS: 67 17:03:01 -160.086984 0.0172 BFGS: 68 17:03:01 -160.087099 0.0166 BFGS: 69 17:03:01 -160.087256 0.0156 BFGS: 70 17:03:01 -160.087389 0.0145 BFGS: 71 17:03:01 -160.087468 0.0139 BFGS: 72 17:03:01 -160.087519 0.0135 BFGS: 73 17:03:01 -160.087573 0.0131 BFGS: 74 17:03:01 -160.087658 0.0122 BFGS: 75 17:03:01 -160.087854 0.0124 BFGS: 76 17:03:01 -160.089928 0.0711 BFGS: 77 17:03:01 -160.090562 0.0782 BFGS: 78 17:03:01 -160.094637 0.0511 BFGS: 79 17:03:01 -160.095869 0.0483 BFGS: 80 17:03:01 -160.096611 0.0444 BFGS: 81 17:03:01 -160.097186 0.0399 BFGS: 82 17:03:01 -160.097978 0.0328 BFGS: 83 17:03:01 -160.098834 0.0245 BFGS: 84 17:03:01 -160.099418 0.0190 BFGS: 85 17:03:01 -160.099685 0.0182 BFGS: 86 17:03:01 -160.099868 0.0186 BFGS: 87 17:03:01 -160.100090 0.0184 BFGS: 88 17:03:01 -160.100330 0.0173 BFGS: 89 17:03:01 -160.100512 0.0153 BFGS: 90 17:03:01 -160.100627 0.0144 BFGS: 91 17:03:01 -160.100727 0.0146 BFGS: 92 17:03:01 -160.100834 0.0131 BFGS: 93 17:03:01 -160.100921 0.0126 BFGS: 94 17:03:01 -160.100977 0.0140 BFGS: 95 17:03:01 -160.101023 0.0147 BFGS: 96 17:03:02 -160.101082 0.0148 BFGS: 97 17:03:02 -160.101154 0.0137 BFGS: 98 17:03:02 -160.101214 0.0120 BFGS: 99 17:03:02 -160.101253 0.0105 BFGS: 100 17:03:02 -160.101289 0.0099 BFGS: 101 17:03:02 -160.101343 0.0101 BFGS: 102 17:03:02 -160.101414 0.0100 BFGS: 103 17:03:02 -160.101473 0.0094 BFGS: 104 17:03:02 -160.101504 0.0087 BFGS: 105 17:03:02 -160.101522 0.0088 BFGS: 106 17:03:02 -160.101544 0.0089 BFGS: 107 17:03:02 -160.101570 0.0085 BFGS: 108 17:03:02 -160.101590 0.0078 BFGS: 109 17:03:02 -160.101602 0.0080 BFGS: 110 17:03:02 -160.101610 0.0081 BFGS: 111 17:03:02 -160.101622 0.0081 BFGS: 112 17:03:02 -160.101639 0.0080 BFGS: 113 17:03:02 -160.101660 0.0084 BFGS: 114 17:03:02 -160.101682 0.0077 BFGS: 115 17:03:02 -160.101706 0.0071 BFGS: 116 17:03:02 -160.101730 0.0068 BFGS: 117 17:03:02 -160.101749 0.0062 BFGS: 118 17:03:02 -160.101762 0.0060 BFGS: 119 17:03:02 -160.101773 0.0061 BFGS: 120 17:03:02 -160.101787 0.0061 BFGS: 121 17:03:02 -160.101803 0.0059 BFGS: 122 17:03:02 -160.101817 0.0054 BFGS: 123 17:03:02 -160.101825 0.0054 BFGS: 124 17:03:02 -160.101833 0.0055 BFGS: 125 17:03:02 -160.101842 0.0054 BFGS: 126 17:03:02 -160.101853 0.0052 BFGS: 127 17:03:02 -160.101860 0.0050 BFGS: 128 17:03:02 -160.101863 0.0048 BFGS: 129 17:03:02 -160.101867 0.0046 BFGS: 130 17:03:02 -160.101872 0.0046 BFGS: 131 17:03:02 -160.101879 0.0045 BFGS: 132 17:03:02 -160.101885 0.0043 BFGS: 133 17:03:02 -160.101887 0.0043 BFGS: 134 17:03:02 -160.101888 0.0044 BFGS: 135 17:03:02 -160.101888 0.0044 BFGS: 136 17:03:02 -160.101890 0.0045 BFGS: 137 17:03:03 -160.101892 0.0045 BFGS: 138 17:03:03 -160.101894 0.0044 BFGS: 139 17:03:03 -160.101895 0.0042 BFGS: 140 17:03:03 -160.101895 0.0041 BFGS: 141 17:03:03 -160.101896 0.0041 BFGS: 142 17:03:03 -160.101896 0.0041 BFGS: 143 17:03:03 -160.101897 0.0042 BFGS: 144 17:03:03 -160.101897 0.0042 BFGS: 145 17:03:03 -160.101897 0.0042 BFGS: 146 17:03:03 -160.101897 0.0043 BFGS: 147 17:03:03 -160.101898 0.0042 BFGS: 148 17:03:03 -160.101898 0.0041 BFGS: 149 17:03:03 -160.101898 0.0040 BFGS: 150 17:03:03 -160.101898 0.0040 BFGS: 151 17:03:03 -160.101898 0.0040 BFGS: 152 17:03:03 -160.101898 0.0040 BFGS: 153 17:03:03 -160.101898 0.0040 BFGS: 154 17:03:03 -160.101899 0.0040 BFGS: 155 17:03:03 -160.101899 0.0040 BFGS: 156 17:03:03 -160.101899 0.0040 BFGS: 157 17:03:03 -160.101899 0.0040 BFGS: 158 17:03:04 -160.101899 0.0040 BFGS: 159 17:03:04 -160.101899 0.0041 BFGS: 160 17:03:04 -160.101899 0.0041 BFGS: 161 17:03:04 -160.101899 0.0041 BFGS: 162 17:03:04 -160.101899 0.0041 BFGS: 163 17:03:04 -160.101899 0.0040 BFGS: 164 17:03:04 -160.101899 0.0040 BFGS: 165 17:03:04 -160.101899 0.0040 BFGS: 166 17:03:04 -160.101899 0.0040 BFGS: 167 17:03:04 -160.101899 0.0040 BFGS: 168 17:03:04 -160.101899 0.0040 BFGS: 169 17:03:04 -160.101899 0.0040 BFGS: 170 17:03:04 -160.101899 0.0040 BFGS: 171 17:03:04 -160.101899 0.0040 BFGS: 172 17:03:04 -160.101899 0.0040 BFGS: 173 17:03:04 -160.101899 0.0040 BFGS: 174 17:03:04 -160.101899 0.0040 BFGS: 175 17:03:04 -160.101899 0.0040 BFGS: 176 17:03:04 -160.101899 0.0040 BFGS: 177 17:03:04 -160.101899 0.0040 BFGS: 178 17:03:04 -160.101899 0.0040 BFGS: 179 17:03:04 -160.101899 0.0040 BFGS: 180 17:03:04 -160.101899 0.0040 BFGS: 181 17:03:04 -160.101899 0.0040 BFGS: 182 17:03:04 -160.101899 0.0040 BFGS: 183 17:03:04 -160.101899 0.0040 BFGS: 184 17:03:04 -160.101899 0.0040 BFGS: 185 17:03:04 -160.101899 0.0040 BFGS: 186 17:03:04 -160.101899 0.0040 BFGS: 187 17:03:04 -160.101899 0.0040 BFGS: 188 17:03:04 -160.101899 0.0040 BFGS: 189 17:03:04 -160.101899 0.0040 BFGS: 190 17:03:04 -160.101899 0.0040 BFGS: 191 17:03:04 -160.101899 0.0040 BFGS: 192 17:03:04 -160.101899 0.0040 BFGS: 193 17:03:04 -160.101899 0.0040 BFGS: 194 17:03:04 -160.101899 0.0040 BFGS: 195 17:03:05 -160.101899 0.0040 BFGS: 196 17:03:05 -160.101899 0.0040 BFGS: 197 17:03:05 -160.101899 0.0040 BFGS: 198 17:03:05 -160.101899 0.0040 BFGS: 199 17:03:05 -160.101899 0.0040 BFGS: 200 17:03:05 -160.101899 0.0040 BFGS: 201 17:03:05 -160.101899 0.0040 BFGS: 202 17:03:05 -160.101899 0.0040 BFGS: 203 17:03:05 -160.101899 0.0040 BFGS: 204 17:03:05 -160.101900 0.0040 BFGS: 205 17:03:05 -160.101901 0.0040 BFGS: 206 17:03:05 -160.101904 0.0040 BFGS: 207 17:03:05 -160.101913 0.0039 BFGS: 208 17:03:05 -160.101933 0.0041 BFGS: 209 17:03:05 -160.101974 0.0055 BFGS: 210 17:03:05 -160.102036 0.0060 BFGS: 211 17:03:05 -160.102087 0.0038 BFGS: 212 17:03:05 -160.102103 0.0011 BFGS: 213 17:03:05 -160.102105 0.0001 BFGS: 214 17:03:05 -160.102105 0.0000 BFGS: 215 17:03:05 -160.102105 0.0000 BFGS: 216 17:03:05 -160.102105 0.0000 BFGS: 217 17:03:05 -160.102105 0.0000 BFGS: 218 17:03:05 -160.102105 0.0000 Minimization converged after 218 steps. Maximum force component: 7.472433891253488e-09 eV/Angstrom Maximum stress component: 7.910420399138287e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[2.21973727e-01 7.78026273e-01 6.66666670e-01] [2.21973727e-01 4.43947454e-01 3.33333337e-01] [5.56052546e-01 7.78026273e-01 3.33333338e-09] [8.90860185e-01 1.09139815e-01 6.66666670e-01] [8.90860185e-01 7.81720370e-01 3.33333337e-01] [2.18279630e-01 1.09139815e-01 3.33333338e-09] [5.57964497e-01 4.44940271e-01 7.98304176e-01] [5.55059729e-01 1.13024226e-01 4.64970843e-01] [8.86975774e-01 4.42035503e-01 1.31637510e-01] [5.55059729e-01 4.42035503e-01 5.35029164e-01] [8.86975774e-01 4.44940271e-01 8.68362497e-01] [5.57964497e-01 1.13024226e-01 2.01695830e-01] [5.66421470e-01 4.43295160e-01 9.41365265e-01] [5.56704840e-01 1.23126311e-01 6.08031931e-01] [8.76873689e-01 4.33578530e-01 2.74698598e-01] [5.56704840e-01 4.33578530e-01 3.91968075e-01] [8.76873689e-01 4.43295160e-01 7.25301409e-01] [5.66421470e-01 1.23126311e-01 5.86347421e-02] [2.24979185e-01 4.44743217e-01 4.79287377e-01] [5.55256783e-01 7.80235968e-01 1.45954044e-01] [2.19764032e-01 7.75020815e-01 8.12620711e-01] [5.55256783e-01 7.75020815e-01 8.54045963e-01] [2.19764032e-01 4.44743217e-01 1.87379296e-01] [2.24979185e-01 7.80235968e-01 5.20712629e-01] [2.40333709e-01 4.45565724e-01 6.14571025e-01] [5.54434276e-01 7.94767985e-01 2.81237692e-01] [2.05232015e-01 7.59666291e-01 9.47904358e-01] [5.54434276e-01 7.59666291e-01 7.18762315e-01] [2.05232015e-01 4.45565724e-01 5.20956482e-02] [2.40333709e-01 7.94767985e-01 3.85428982e-01] [2.21917497e-01 1.10693575e-01 1.45932950e-01] [8.89306425e-01 1.11223922e-01 8.12599616e-01] [8.88776078e-01 7.78082503e-01 4.79266283e-01] [8.89306425e-01 7.78082503e-01 1.87400390e-01] [8.88776078e-01 1.10693575e-01 5.20733724e-01] [2.21917497e-01 1.11223922e-01 8.54067057e-01] [2.38448811e-01 1.10992676e-01 2.81235757e-01] [8.89007324e-01 1.27456134e-01 9.47902423e-01] [8.72543866e-01 7.61551189e-01 6.14569090e-01] [8.89007324e-01 7.61551189e-01 5.20975833e-02] [8.72543866e-01 1.10992676e-01 3.85430917e-01] [2.38448811e-01 1.27456134e-01 7.18764250e-01] [5.47254019e-01 4.45781732e-01 9.63019557e-02] [5.54218268e-01 1.01472286e-01 7.62968622e-01] [8.98527714e-01 4.52745981e-01 4.29635289e-01] [5.54218268e-01 4.52745981e-01 2.37031384e-01] [8.98527714e-01 4.45781732e-01 5.70364718e-01] [5.47254019e-01 1.01472286e-01 9.03698051e-01] [2.14614638e-01 4.43650458e-01 7.64085467e-01] [5.56349542e-01 7.70964180e-01 4.30752134e-01] [2.29035820e-01 7.85385362e-01 9.74188006e-02] [5.56349542e-01 7.85385362e-01 5.69247873e-01] [2.29035820e-01 4.43650458e-01 9.02581206e-01] [2.14614638e-01 7.70964180e-01 2.35914539e-01] [2.14482376e-01 1.11047395e-01 4.30350601e-01] [8.88952605e-01 1.03434980e-01 9.70172674e-02] [8.96565020e-01 7.85517624e-01 7.63683934e-01] [8.88952605e-01 7.85517624e-01 9.02982739e-01] [8.96565020e-01 1.11047395e-01 2.36316073e-01] [2.14482376e-01 1.03434980e-01 5.69649406e-01]] cellpar = Cell([[7.510370717687065, 4.136420739119848e-18, 2.4977335708217045e-38], [-3.7551853588435327, 6.504171833355766, 1.2628485752338323e-37], [5.956266825603787e-38, 6.262545233923683e-37, 18.66139035059592]]) forces = [[-1.77608659e-10 1.02542407e-10 1.53346263e-31] [ 3.74748054e-28 -2.05084814e-10 -4.37570583e-48] [ 1.77608659e-10 1.02542407e-10 1.53346263e-31] [ 2.52929175e-10 -1.46028727e-10 -6.13385054e-31] [ 9.71943327e-27 2.92057455e-10 -6.13385054e-31] [-2.52929175e-10 -1.46028727e-10 3.06692527e-31] [-5.95086190e-10 1.73994035e-10 1.37494400e-09] [ 1.46859840e-10 -6.02356776e-10 1.37494400e-09] [ 4.48226350e-10 4.28362740e-10 1.37494400e-09] [-4.48226350e-10 4.28362740e-10 -1.37494400e-09] [ 5.95086190e-10 1.73994035e-10 -1.37494400e-09] [-1.46859840e-10 -6.02356776e-10 -1.37494400e-09] [ 1.19995102e-09 -3.12562367e-10 1.50192247e-09] [-3.29288559e-10 1.19546925e-09 1.50192247e-09] [-8.70662459e-10 -8.82906882e-10 1.50192247e-09] [ 8.70662459e-10 -8.82906882e-10 -1.50192247e-09] [-1.19995102e-09 -3.12562367e-10 -1.50192247e-09] [ 3.29288559e-10 1.19546925e-09 -1.50192247e-09] [ 1.52450106e-09 -3.77622122e-10 -6.18419056e-10] [-4.35220181e-10 1.50906771e-09 -6.18419056e-10] [-1.08928088e-09 -1.13144559e-09 -6.18419056e-10] [ 1.08928088e-09 -1.13144559e-09 6.18419056e-10] [-1.52450106e-09 -3.77622122e-10 6.18419056e-10] [ 4.35220181e-10 1.50906771e-09 6.18419056e-10] [-4.80588251e-10 1.20370728e-10 -5.77231982e-10] [ 1.36050017e-10 -4.76386998e-10 -5.77231982e-10] [ 3.44538234e-10 3.56016270e-10 -5.77231982e-10] [-3.44538234e-10 3.56016270e-10 5.77231982e-10] [ 4.80588251e-10 1.20370728e-10 5.77231982e-10] [-1.36050017e-10 -4.76386998e-10 5.77231982e-10] [-3.69358250e-10 -5.39806910e-10 -3.86099615e-10] [ 6.52165622e-10 -4.99701723e-11 -3.86099615e-10] [-2.82807372e-10 5.89777082e-10 -3.86099615e-10] [ 2.82807372e-10 5.89777082e-10 3.86099615e-10] [ 3.69358250e-10 -5.39806910e-10 3.86099615e-10] [-6.52165622e-10 -4.99701723e-11 3.86099615e-10] [-4.05139266e-10 3.89858560e-10 -1.29561997e-09] [-1.35057784e-10 -5.45790176e-10 -1.29561997e-09] [ 5.40197050e-10 1.55931616e-10 -1.29561997e-09] [-5.40197050e-10 1.55931616e-10 1.29561997e-09] [ 4.05139266e-10 3.89858560e-10 1.29561997e-09] [ 1.35057784e-10 -5.45790176e-10 1.29561997e-09] [ 5.75706357e-10 -7.06668142e-10 -7.47243389e-09] [ 3.24139384e-10 8.51910401e-10 -7.47243389e-09] [-8.99845741e-10 -1.45242260e-10 -7.47243389e-09] [ 8.99845741e-10 -1.45242260e-10 7.47243389e-09] [-5.75706357e-10 -7.06668142e-10 7.47243389e-09] [-3.24139384e-10 8.51910401e-10 7.47243389e-09] [ 5.44752279e-10 4.35659182e-10 1.04191826e-09] [-6.49668059e-10 2.53939722e-10 1.04191826e-09] [ 1.04915779e-10 -6.89598904e-10 1.04191826e-09] [-1.04915779e-10 -6.89598904e-10 -1.04191826e-09] [-5.44752279e-10 4.35659182e-10 -1.04191826e-09] [ 6.49668059e-10 2.53939722e-10 -1.04191826e-09] [ 1.07648031e-09 2.44417131e-10 6.65480453e-10] [-7.49911600e-10 8.10050730e-10 6.65480453e-10] [-3.26568711e-10 -1.05446786e-09 6.65480453e-10] [ 3.26568711e-10 -1.05446786e-09 -6.65480453e-10] [-1.07648031e-09 2.44417131e-10 -6.65480453e-10] [ 7.49911600e-10 8.10050730e-10 -6.65480453e-10]] stress = [ 7.91042040e-11 7.91042040e-11 -1.94751468e-11 -5.07755294e-34 -6.70197315e-49 1.84467964e-26] energy per atom = -2.6683684216765884 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0