element(s): ['O', 'Si'] AFLOW prototype label: A2B_mP84_10_i4m3n10o_7o Parameter names: ['a', 'b/a', 'c/a', 'beta', 'y1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'z6', 'x7', 'z7', 'x8', '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', 'x22', 'y22', 'z22', 'x23', 'y23', 'z23', 'x24', 'y24', 'z24', 'x25', 'y25', 'z25'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['15.2304', '0.56199443', '0.82587457', '105.9394', '0.75170035', '0.21556713', '0.64786681', '0.40301867', '0.39671244', '0.10633634', '0.0072051833', '0.11256226', '0.32852543', '0.41257573', '0.62199539', '0.25593437', '0.21573968', '0.92663575', '0.237792', '0.38521248', '0.28897077', '0.46212573', '0.32017794', '0.78669083', '0.25041494', '0.10766276', '0.77151708', '0.86579596', '0.32364324', '0.76048633', '0.63861712', '0.17262042', '0.71397819', '0.69599076', '0.16299929', '0.21355891', '0.48833224', '0.15774796', '0.28471863', '0.2816605', '0.18000525', '0.27279029', '0.078827899', '0.0046519917', '0.24148892', '0.33805941', '0.50047909', '0.2292439', '0.66037839', '0.10974035', '0.18433328', '0.3596264', '0.21837318', '0.81614252', '0.61683395', '0.4051281', '0.31458579', '0.59536731', '0.40230694', '0.81682647', '0.36178853', '0.2276838', '0.31706598', '0.20693573', '0.098145849', '0.81292078', '0.98749518', '0.91307531', '0.68555502', '0.25327536'] model name: Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['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'] representative atom coordinates = [[0. 0.75170035 0. ] [0.35213319 0. 0.21556713] [0.60328756 0. 0.40301867] [0.99279482 0. 0.10633634] [0.67147457 0. 0.11256226] [0.37800461 0.5 0.41257573] [0.78426032 0.5 0.25593437] [0.762208 0.5 0.92663575] [0.53787427 0.28897077 0.38521248] [0.74958506 0.78669083 0.32017794] [0.13420404 0.77151708 0.10766276] [0.36138288 0.76048633 0.32364324] [0.30400924 0.71397819 0.17262042] [0.51166776 0.21355891 0.16299929] [0.7183395 0.28471863 0.15774796] [0.9211721 0.27279029 0.18000525] [0.66194059 0.24148892 0.00465199] [0.33962161 0.2292439 0.50047909] [0.6403736 0.18433328 0.10974035] [0.38316605 0.81614252 0.21837318] [0.40463269 0.31458579 0.4051281 ] [0.63821147 0.81682647 0.40230694] [0.79306427 0.31706598 0.2276838 ] [0.01250482 0.81292078 0.09814585] [0.74672464 0.68555502 0.91307531]] spacegroup = 10 cell = [[12.5784, 0, 0], [0, 8.5594, 0], [4.1825801337271, 0, 14.644832111873]] ========================================= Step Time Energy fmax BFGS: 0 14:05:35 -560.276622 1.196757 BFGS: 1 14:05:35 -560.698563 0.820163 BFGS: 2 14:05:35 -561.078840 0.862322 BFGS: 3 14:05:35 -561.339463 0.786361 BFGS: 4 14:05:35 -561.487288 0.483209 BFGS: 5 14:05:35 -561.588942 0.423658 BFGS: 6 14:05:35 -561.677753 0.448362 BFGS: 7 14:05:35 -561.757161 0.368848 BFGS: 8 14:05:35 -561.823989 0.251667 BFGS: 9 14:05:35 -561.877992 0.348185 BFGS: 10 14:05:36 -561.926926 0.327558 BFGS: 11 14:05:36 -561.971812 0.321771 BFGS: 12 14:05:36 -562.004081 0.206555 BFGS: 13 14:05:36 -562.023623 0.160187 BFGS: 14 14:05:36 -562.037480 0.139112 BFGS: 15 14:05:36 -562.050260 0.120517 BFGS: 16 14:05:36 -562.062097 0.137452 BFGS: 17 14:05:36 -562.071005 0.119812 BFGS: 18 14:05:36 -562.077464 0.113498 BFGS: 19 14:05:36 -562.083115 0.105696 BFGS: 20 14:05:36 -562.088438 0.084158 BFGS: 21 14:05:36 -562.092746 0.066641 BFGS: 22 14:05:36 -562.095993 0.060652 BFGS: 23 14:05:36 -562.098980 0.061371 BFGS: 24 14:05:36 -562.102293 0.065592 BFGS: 25 14:05:36 -562.105417 0.065133 BFGS: 26 14:05:36 -562.107677 0.057279 BFGS: 27 14:05:36 -562.109235 0.055954 BFGS: 28 14:05:36 -562.110570 0.054129 BFGS: 29 14:05:36 -562.111856 0.053067 BFGS: 30 14:05:36 -562.113101 0.054304 BFGS: 31 14:05:36 -562.114355 0.067807 BFGS: 32 14:05:36 -562.115692 0.064428 BFGS: 33 14:05:36 -562.117054 0.047947 BFGS: 34 14:05:36 -562.118290 0.046776 BFGS: 35 14:05:37 -562.119379 0.043455 BFGS: 36 14:05:37 -562.120390 0.042840 BFGS: 37 14:05:37 -562.121337 0.041740 BFGS: 38 14:05:37 -562.122232 0.044355 BFGS: 39 14:05:37 -562.123209 0.053651 BFGS: 40 14:05:37 -562.124516 0.067852 BFGS: 41 14:05:37 -562.126306 0.067793 BFGS: 42 14:05:37 -562.128411 0.065194 BFGS: 43 14:05:38 -562.130467 0.057500 BFGS: 44 14:05:38 -562.132331 0.054339 BFGS: 45 14:05:38 -562.134029 0.053092 BFGS: 46 14:05:38 -562.135454 0.045926 BFGS: 47 14:05:38 -562.136534 0.036443 BFGS: 48 14:05:38 -562.137511 0.036836 BFGS: 49 14:05:38 -562.138720 0.045381 BFGS: 50 14:05:38 -562.140159 0.050884 BFGS: 51 14:05:38 -562.141341 0.047960 BFGS: 52 14:05:39 -562.142005 0.036863 BFGS: 53 14:05:39 -562.142447 0.027684 BFGS: 54 14:05:39 -562.143013 0.028997 BFGS: 55 14:05:39 -562.143825 0.033346 BFGS: 56 14:05:39 -562.144735 0.030409 BFGS: 57 14:05:39 -562.145540 0.037410 BFGS: 58 14:05:39 -562.146288 0.045449 BFGS: 59 14:05:39 -562.147168 0.041954 BFGS: 60 14:05:40 -562.148138 0.030451 BFGS: 61 14:05:40 -562.148904 0.027930 BFGS: 62 14:05:40 -562.149398 0.026781 BFGS: 63 14:05:40 -562.149816 0.024390 BFGS: 64 14:05:40 -562.150316 0.026428 BFGS: 65 14:05:40 -562.150849 0.030002 BFGS: 66 14:05:40 -562.151277 0.027152 BFGS: 67 14:05:40 -562.151597 0.025045 BFGS: 68 14:05:40 -562.151909 0.024822 BFGS: 69 14:05:41 -562.152250 0.024322 BFGS: 70 14:05:41 -562.152565 0.024175 BFGS: 71 14:05:41 -562.152826 0.023923 BFGS: 72 14:05:41 -562.153084 0.023890 BFGS: 73 14:05:41 -562.153399 0.023527 BFGS: 74 14:05:41 -562.153759 0.023033 BFGS: 75 14:05:41 -562.154087 0.023003 BFGS: 76 14:05:41 -562.154356 0.022448 BFGS: 77 14:05:41 -562.154607 0.020385 BFGS: 78 14:05:41 -562.154869 0.019497 BFGS: 79 14:05:42 -562.155108 0.018630 BFGS: 80 14:05:42 -562.155290 0.018043 BFGS: 81 14:05:42 -562.155428 0.017508 BFGS: 82 14:05:42 -562.155544 0.016948 BFGS: 83 14:05:42 -562.155639 0.016233 BFGS: 84 14:05:42 -562.155710 0.015558 BFGS: 85 14:05:42 -562.155773 0.014887 BFGS: 86 14:05:42 -562.155853 0.014135 BFGS: 87 14:05:42 -562.155967 0.013145 BFGS: 88 14:05:42 -562.156111 0.014207 BFGS: 89 14:05:42 -562.156255 0.016563 BFGS: 90 14:05:42 -562.156386 0.014413 BFGS: 91 14:05:42 -562.156523 0.014867 BFGS: 92 14:05:43 -562.156689 0.016867 BFGS: 93 14:05:43 -562.156867 0.014771 BFGS: 94 14:05:43 -562.157010 0.012660 BFGS: 95 14:05:43 -562.157109 0.010862 BFGS: 96 14:05:43 -562.157199 0.011375 BFGS: 97 14:05:43 -562.157304 0.014577 BFGS: 98 14:05:43 -562.157410 0.015335 BFGS: 99 14:05:43 -562.157492 0.011643 BFGS: 100 14:05:43 -562.157548 0.011263 BFGS: 101 14:05:43 -562.157601 0.010843 BFGS: 102 14:05:43 -562.157657 0.010506 BFGS: 103 14:05:43 -562.157708 0.010533 BFGS: 104 14:05:44 -562.157746 0.010386 BFGS: 105 14:05:44 -562.157779 0.010416 BFGS: 106 14:05:44 -562.157815 0.010319 BFGS: 107 14:05:44 -562.157857 0.009944 BFGS: 108 14:05:44 -562.157904 0.009557 BFGS: 109 14:05:44 -562.157958 0.009218 BFGS: 110 14:05:44 -562.158029 0.009962 BFGS: 111 14:05:44 -562.158121 0.011501 BFGS: 112 14:05:44 -562.158225 0.011426 BFGS: 113 14:05:44 -562.158327 0.012994 BFGS: 114 14:05:45 -562.158429 0.016061 BFGS: 115 14:05:45 -562.158544 0.016574 BFGS: 116 14:05:45 -562.158668 0.013632 BFGS: 117 14:05:45 -562.158774 0.010971 BFGS: 118 14:05:45 -562.158845 0.010918 BFGS: 119 14:05:45 -562.158895 0.010076 BFGS: 120 14:05:45 -562.158941 0.009657 BFGS: 121 14:05:45 -562.158988 0.009620 BFGS: 122 14:05:45 -562.159034 0.008117 BFGS: 123 14:05:45 -562.159079 0.008286 BFGS: 124 14:05:45 -562.159124 0.009416 BFGS: 125 14:05:45 -562.159168 0.009798 BFGS: 126 14:05:45 -562.159211 0.008878 BFGS: 127 14:05:46 -562.159250 0.007207 BFGS: 128 14:05:46 -562.159285 0.005859 BFGS: 129 14:05:46 -562.159312 0.006648 BFGS: 130 14:05:46 -562.159334 0.006558 BFGS: 131 14:05:46 -562.159352 0.005328 BFGS: 132 14:05:46 -562.159366 0.004501 BFGS: 133 14:05:46 -562.159377 0.003577 BFGS: 134 14:05:46 -562.159386 0.002938 BFGS: 135 14:05:46 -562.159394 0.003350 BFGS: 136 14:05:46 -562.159402 0.003269 BFGS: 137 14:05:46 -562.159408 0.002672 BFGS: 138 14:05:46 -562.159413 0.002513 BFGS: 139 14:05:46 -562.159417 0.002795 BFGS: 140 14:05:47 -562.159421 0.002828 BFGS: 141 14:05:47 -562.159425 0.002048 BFGS: 142 14:05:47 -562.159427 0.001893 BFGS: 143 14:05:47 -562.159429 0.001814 BFGS: 144 14:05:47 -562.159432 0.002286 BFGS: 145 14:05:47 -562.159436 0.002884 BFGS: 146 14:05:47 -562.159439 0.002591 BFGS: 147 14:05:47 -562.159442 0.001907 BFGS: 148 14:05:47 -562.159443 0.001939 BFGS: 149 14:05:47 -562.159445 0.001995 BFGS: 150 14:05:47 -562.159448 0.001982 BFGS: 151 14:05:48 -562.159450 0.001964 BFGS: 152 14:05:48 -562.159452 0.001765 BFGS: 153 14:05:48 -562.159454 0.001714 BFGS: 154 14:05:48 -562.159456 0.002001 BFGS: 155 14:05:48 -562.159459 0.002151 BFGS: 156 14:05:48 -562.159461 0.002063 BFGS: 157 14:05:48 -562.159463 0.001869 BFGS: 158 14:05:48 -562.159465 0.001720 BFGS: 159 14:05:48 -562.159467 0.002147 BFGS: 160 14:05:48 -562.159471 0.002118 BFGS: 161 14:05:48 -562.159473 0.001559 BFGS: 162 14:05:48 -562.159474 0.001496 BFGS: 163 14:05:49 -562.159475 0.001456 BFGS: 164 14:05:49 -562.159476 0.001419 BFGS: 165 14:05:49 -562.159477 0.001392 BFGS: 166 14:05:49 -562.159479 0.001392 BFGS: 167 14:05:49 -562.159480 0.001414 BFGS: 168 14:05:49 -562.159481 0.001433 BFGS: 169 14:05:49 -562.159481 0.001439 BFGS: 170 14:05:49 -562.159482 0.001417 BFGS: 171 14:05:49 -562.159483 0.001358 BFGS: 172 14:05:49 -562.159484 0.001282 BFGS: 173 14:05:50 -562.159485 0.001272 BFGS: 174 14:05:50 -562.159487 0.001657 BFGS: 175 14:05:50 -562.159490 0.001768 BFGS: 176 14:05:50 -562.159494 0.001847 BFGS: 177 14:05:50 -562.159496 0.002089 BFGS: 178 14:05:50 -562.159498 0.002351 BFGS: 179 14:05:50 -562.159500 0.002321 BFGS: 180 14:05:50 -562.159504 0.002492 BFGS: 181 14:05:50 -562.159508 0.002155 BFGS: 182 14:05:50 -562.159512 0.002351 BFGS: 183 14:05:50 -562.159513 0.001976 BFGS: 184 14:05:50 -562.159514 0.001425 BFGS: 185 14:05:50 -562.159515 0.000813 BFGS: 186 14:05:51 -562.159515 0.000547 BFGS: 187 14:05:51 -562.159516 0.000357 BFGS: 188 14:05:51 -562.159516 0.000341 BFGS: 189 14:05:51 -562.159516 0.000317 BFGS: 190 14:05:51 -562.159516 0.000352 BFGS: 191 14:05:51 -562.159516 0.000325 BFGS: 192 14:05:51 -562.159516 0.000305 BFGS: 193 14:05:51 -562.159516 0.000302 BFGS: 194 14:05:51 -562.159516 0.000285 BFGS: 195 14:05:51 -562.159516 0.000281 BFGS: 196 14:05:51 -562.159516 0.000296 BFGS: 197 14:05:51 -562.159516 0.000281 BFGS: 198 14:05:51 -562.159516 0.000258 BFGS: 199 14:05:51 -562.159516 0.000317 BFGS: 200 14:05:52 -562.159516 0.000399 BFGS: 201 14:05:52 -562.159517 0.000469 BFGS: 202 14:05:52 -562.159517 0.000379 BFGS: 203 14:05:52 -562.159517 0.000231 BFGS: 204 14:05:52 -562.159517 0.000138 BFGS: 205 14:05:52 -562.159517 0.000099 BFGS: 206 14:05:52 -562.159517 0.000062 BFGS: 207 14:05:52 -562.159517 0.000036 BFGS: 208 14:05:52 -562.159517 0.000021 BFGS: 209 14:05:52 -562.159517 0.000018 BFGS: 210 14:05:52 -562.159517 0.000014 BFGS: 211 14:05:52 -562.159517 0.000010 BFGS: 212 14:05:52 -562.159517 0.000007 BFGS: 213 14:05:52 -562.159517 0.000004 BFGS: 214 14:05:53 -562.159517 0.000002 BFGS: 215 14:05:53 -562.159517 0.000003 BFGS: 216 14:05:53 -562.159517 0.000002 BFGS: 217 14:05:53 -562.159517 0.000002 BFGS: 218 14:05:53 -562.159517 0.000001 BFGS: 219 14:05:53 -562.159517 0.000000 BFGS: 220 14:05:53 -562.159517 0.000000 Minimization converged after 220 steps. Maximum force component: 4.187400520078156e-09 eV/Angstrom Maximum stress component: 1.8269701146503342e-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', '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', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 7.56464516e-01 5.73656723e-34] [0.00000000e+00 2.43535484e-01 0.00000000e+00] [3.70488063e-01 0.00000000e+00 1.93263047e-01] [6.29511937e-01 0.00000000e+00 8.06736953e-01] [5.97741256e-01 0.00000000e+00 4.07749949e-01] [4.02258744e-01 7.25189334e-34 5.92250051e-01] [9.80655297e-01 0.00000000e+00 1.11046430e-01] [1.93447025e-02 5.43892000e-34 8.88953570e-01] [6.65088915e-01 1.13310833e-34 1.27657644e-01] [3.34911085e-01 9.06486667e-34 8.72342356e-01] [3.69060474e-01 5.00000000e-01 3.99209735e-01] [6.30939526e-01 5.00000000e-01 6.00790265e-01] [7.88580163e-01 5.00000000e-01 2.59891854e-01] [2.11419837e-01 5.00000000e-01 7.40108146e-01] [7.67768754e-01 5.00000000e-01 9.34540938e-01] [2.32231246e-01 5.00000000e-01 6.54590621e-02] [5.34669895e-01 2.92638229e-01 3.83592365e-01] [4.65330105e-01 2.92638229e-01 6.16407635e-01] [4.65330105e-01 7.07361771e-01 6.16407635e-01] [5.34669895e-01 7.07361771e-01 3.83592365e-01] [7.42837509e-01 7.89043933e-01 3.17955872e-01] [2.57162491e-01 7.89043933e-01 6.82044128e-01] [2.57162491e-01 2.10956067e-01 6.82044128e-01] [7.42837509e-01 2.10956067e-01 3.17955872e-01] [1.36801389e-01 7.84501181e-01 1.09818373e-01] [8.63198611e-01 7.84501181e-01 8.90181627e-01] [8.63198611e-01 2.15498819e-01 8.90181627e-01] [1.36801389e-01 2.15498819e-01 1.09818373e-01] [3.64286728e-01 7.79754062e-01 3.21092188e-01] [6.35713272e-01 7.79754062e-01 6.78907812e-01] [6.35713272e-01 2.20245938e-01 6.78907812e-01] [3.64286728e-01 2.20245938e-01 3.21092188e-01] [3.09803091e-01 7.06606218e-01 1.68033193e-01] [6.90196909e-01 7.06606218e-01 8.31966807e-01] [6.90196909e-01 2.93393782e-01 8.31966807e-01] [3.09803091e-01 2.93393782e-01 1.68033193e-01] [5.17022145e-01 2.36018128e-01 1.64663106e-01] [4.82977855e-01 2.36018128e-01 8.35336894e-01] [4.82977855e-01 7.63981872e-01 8.35336894e-01] [5.17022145e-01 7.63981872e-01 1.64663106e-01] [7.26673961e-01 2.93225693e-01 1.53041832e-01] [2.73326039e-01 2.93225693e-01 8.46958168e-01] [2.73326039e-01 7.06774307e-01 8.46958168e-01] [7.26673961e-01 7.06774307e-01 1.53041832e-01] [9.24995971e-01 2.75898443e-01 1.81429720e-01] [7.50040286e-02 2.75898443e-01 8.18570280e-01] [7.50040286e-02 7.24101557e-01 8.18570280e-01] [9.24995971e-01 7.24101557e-01 1.81429720e-01] [6.66217684e-01 2.30416285e-01 4.92859792e-03] [3.33782316e-01 2.30416285e-01 9.95071402e-01] [3.33782316e-01 7.69583715e-01 9.95071402e-01] [6.66217684e-01 7.69583715e-01 4.92859792e-03] [3.45383634e-01 2.39974193e-01 5.01225737e-01] [6.54616366e-01 2.39974193e-01 4.98774263e-01] [6.54616366e-01 7.60025807e-01 4.98774263e-01] [3.45383634e-01 7.60025807e-01 5.01225737e-01] [6.42608477e-01 1.86813118e-01 1.12542654e-01] [3.57391523e-01 1.86813118e-01 8.87457346e-01] [3.57391523e-01 8.13186882e-01 8.87457346e-01] [6.42608477e-01 8.13186882e-01 1.12542654e-01] [3.90179279e-01 8.13970590e-01 2.12245665e-01] [6.09820721e-01 8.13970590e-01 7.87754335e-01] [6.09820721e-01 1.86029410e-01 7.87754335e-01] [3.90179279e-01 1.86029410e-01 2.12245665e-01] [4.02330206e-01 3.14020976e-01 4.01253022e-01] [5.97669794e-01 3.14020976e-01 5.98746978e-01] [5.97669794e-01 6.85979024e-01 5.98746978e-01] [4.02330206e-01 6.85979024e-01 4.01253022e-01] [6.34153357e-01 8.14893763e-01 4.01948911e-01] [3.65846643e-01 8.14893763e-01 5.98051089e-01] [3.65846643e-01 1.85106237e-01 5.98051089e-01] [6.34153357e-01 1.85106237e-01 4.01948911e-01] [7.96642311e-01 3.16455321e-01 2.28092677e-01] [2.03357689e-01 3.16455321e-01 7.71907323e-01] [2.03357689e-01 6.83544679e-01 7.71907323e-01] [7.96642311e-01 6.83544679e-01 2.28092677e-01] [1.30311197e-02 8.13392500e-01 9.90514988e-02] [9.86968880e-01 8.13392500e-01 9.00948501e-01] [9.86968880e-01 1.86607500e-01 9.00948501e-01] [1.30311197e-02 1.86607500e-01 9.90514988e-02] [7.47603641e-01 6.86665585e-01 9.15704139e-01] [2.52396359e-01 6.86665585e-01 8.42958608e-02] [2.52396359e-01 3.13334415e-01 8.42958608e-02] [7.47603641e-01 3.13334415e-01 9.15704139e-01]] cellpar = Cell([[12.673742908495159, 1.5698990581319464e-18, -0.09756151931125764], [1.1074283842605239e-18, 8.498436941247187, -4.2009060151868234e-18], [4.101508943811345, -6.576308489968322e-18, 14.74048728163155]]) forces = [[ 4.89379745e-29 3.75551409e-10 -1.85640746e-28] [-4.89379745e-29 -3.75551409e-10 1.85640746e-28] [-1.23038447e-09 1.00928364e-27 -2.41284631e-09] [ 1.23038447e-09 -1.00928364e-27 2.41284631e-09] [-7.62451643e-10 -2.02915121e-27 4.04004929e-09] [ 7.62451643e-10 2.02915121e-27 -4.04004929e-09] [-3.90929997e-10 8.61497484e-30 -1.15927479e-10] [ 3.90929997e-10 -8.61497484e-30 1.15927479e-10] [ 2.38663597e-09 5.11940364e-28 -4.69408359e-10] [-2.38663597e-09 -5.11940364e-28 4.69408359e-10] [ 7.90239985e-10 -1.91154162e-27 4.18740052e-09] [-7.90239985e-10 1.91321764e-27 -4.18740052e-09] [-1.52405706e-09 -1.98528986e-28 3.20493632e-11] [ 1.52405706e-09 1.98528986e-28 -3.20493632e-11] [-2.28522880e-09 -2.33720850e-28 -8.53132009e-11] [ 2.28522880e-09 2.33720850e-28 8.53132009e-11] [-6.89723081e-10 -2.27680817e-09 -2.35860231e-09] [ 6.89723081e-10 -2.27680817e-09 2.35860231e-09] [ 6.89723081e-10 2.27680817e-09 2.35860231e-09] [-6.89723081e-10 2.27680817e-09 -2.35860231e-09] [ 6.49171612e-10 5.46826060e-10 -3.86483629e-10] [-6.49171612e-10 5.46826060e-10 3.86483629e-10] [-6.49171612e-10 -5.46826060e-10 3.86483629e-10] [ 6.49171612e-10 -5.46826060e-10 -3.86483629e-10] [-4.50598801e-10 2.29285360e-09 -2.24989520e-09] [ 4.50598801e-10 2.29285360e-09 2.24989520e-09] [ 4.50598801e-10 -2.29285360e-09 2.24989520e-09] [-4.50598801e-10 -2.29285360e-09 -2.24989520e-09] [ 1.36135960e-09 2.66204806e-09 1.14561454e-09] [-1.36135960e-09 2.66204806e-09 -1.14561454e-09] [-1.36135960e-09 -2.66204806e-09 -1.14561454e-09] [ 1.36135960e-09 -2.66204806e-09 1.14561454e-09] [-1.14381929e-09 1.21007483e-09 8.91922397e-10] [ 1.14381929e-09 1.21007483e-09 -8.91922397e-10] [ 1.14381929e-09 -1.21007483e-09 -8.91922397e-10] [-1.14381929e-09 -1.21007483e-09 8.91922397e-10] [-3.08846855e-10 -2.46728077e-09 -1.06684082e-09] [ 3.08846855e-10 -2.46728077e-09 1.06684082e-09] [ 3.08846855e-10 2.46728077e-09 1.06684082e-09] [-3.08846855e-10 2.46728077e-09 -1.06684082e-09] [ 9.41263130e-10 3.32736682e-10 1.32015335e-09] [-9.41263130e-10 3.32736682e-10 -1.32015335e-09] [-9.41263130e-10 -3.32736682e-10 -1.32015335e-09] [ 9.41263130e-10 -3.32736682e-10 1.32015335e-09] [ 8.91273194e-10 7.56978688e-10 -4.00971208e-10] [-8.91273194e-10 7.56978688e-10 4.00971208e-10] [-8.91273194e-10 -7.56978688e-10 4.00971208e-10] [ 8.91273194e-10 -7.56978688e-10 -4.00971208e-10] [-1.66978199e-10 -2.03137733e-09 -1.45061287e-09] [ 1.66978199e-10 -2.03137733e-09 1.45061287e-09] [ 1.66978199e-10 2.03137733e-09 1.45061287e-09] [-1.66978199e-10 2.03137733e-09 -1.45061287e-09] [ 3.31271068e-10 -1.88542672e-09 -9.12287898e-10] [-3.31271068e-10 -1.88542672e-09 9.12287898e-10] [-3.31271068e-10 1.88542672e-09 9.12287898e-10] [ 3.31271068e-10 1.88542672e-09 -9.12287898e-10] [ 1.92420972e-10 -1.55141060e-09 -6.76168566e-10] [-1.92420972e-10 -1.55141060e-09 6.76168566e-10] [-1.92420972e-10 1.55141060e-09 6.76168566e-10] [ 1.92420972e-10 1.55141060e-09 -6.76168566e-10] [-3.72865703e-10 1.85314373e-09 -3.66149611e-10] [ 3.72865703e-10 1.85314373e-09 3.66149611e-10] [ 3.72865703e-10 -1.85314373e-09 3.66149611e-10] [-3.72865703e-10 -1.85314373e-09 -3.66149611e-10] [-2.08960112e-09 -7.35941065e-10 -7.78804115e-10] [ 2.08960112e-09 -7.35941065e-10 7.78804115e-10] [ 2.08960112e-09 7.35941065e-10 7.78804115e-10] [-2.08960112e-09 7.35941065e-10 -7.78804115e-10] [-7.19748896e-10 -2.41070219e-10 3.32813424e-10] [ 7.19748896e-10 -2.41070219e-10 -3.32813424e-10] [ 7.19748896e-10 2.41070219e-10 -3.32813424e-10] [-7.19748896e-10 2.41070219e-10 3.32813424e-10] [-1.36913120e-11 -5.49603599e-10 -2.09315620e-11] [ 1.36913120e-11 -5.49603599e-10 2.09315620e-11] [ 1.36913120e-11 5.49603599e-10 2.09315620e-11] [-1.36913120e-11 5.49603599e-10 -2.09315620e-11] [ 1.16185998e-09 -8.13620706e-10 -1.73333667e-10] [-1.16185998e-09 -8.13620706e-10 1.73333667e-10] [-1.16185998e-09 8.13620706e-10 1.73333667e-10] [ 1.16185998e-09 8.13620706e-10 -1.73333667e-10] [-2.14699235e-09 4.97157177e-12 1.56642949e-10] [ 2.14699235e-09 4.97157177e-12 -1.56642949e-10] [ 2.14699235e-09 -4.97157177e-12 -1.56642949e-10] [-2.14699235e-09 -4.97157177e-12 1.56642949e-10]] stress = [-1.70124061e-11 9.00207631e-13 -1.60495608e-11 -2.03802021e-30 1.82697011e-11 1.86877739e-30] energy per atom = -6.69237519991946 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0