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 16:00:55 -560.276622 1.196757 BFGS: 1 16:00:56 -560.698563 0.820163 BFGS: 2 16:00:56 -561.078840 0.862322 BFGS: 3 16:00:57 -561.339463 0.786361 BFGS: 4 16:00:58 -561.487288 0.483209 BFGS: 5 16:00:59 -561.588942 0.423658 BFGS: 6 16:01:00 -561.677753 0.448362 BFGS: 7 16:01:00 -561.757161 0.368848 BFGS: 8 16:01:01 -561.823989 0.251667 BFGS: 9 16:01:02 -561.877992 0.348185 BFGS: 10 16:01:03 -561.926926 0.327558 BFGS: 11 16:01:03 -561.971812 0.321771 BFGS: 12 16:01:03 -562.004081 0.206555 BFGS: 13 16:01:04 -562.023623 0.160187 BFGS: 14 16:01:05 -562.037480 0.139112 BFGS: 15 16:01:06 -562.050260 0.120517 BFGS: 16 16:01:06 -562.062097 0.137452 BFGS: 17 16:01:07 -562.071005 0.119812 BFGS: 18 16:01:07 -562.077464 0.113498 BFGS: 19 16:01:08 -562.083115 0.105696 BFGS: 20 16:01:08 -562.088438 0.084158 BFGS: 21 16:01:09 -562.092746 0.066641 BFGS: 22 16:01:10 -562.095993 0.060652 BFGS: 23 16:01:10 -562.098980 0.061371 BFGS: 24 16:01:10 -562.102293 0.065592 BFGS: 25 16:01:11 -562.105417 0.065133 BFGS: 26 16:01:11 -562.107677 0.057279 BFGS: 27 16:01:12 -562.109235 0.055954 BFGS: 28 16:01:13 -562.110570 0.054129 BFGS: 29 16:01:13 -562.111856 0.053067 BFGS: 30 16:01:14 -562.113101 0.054304 BFGS: 31 16:01:14 -562.114355 0.067807 BFGS: 32 16:01:14 -562.115692 0.064428 BFGS: 33 16:01:15 -562.117054 0.047947 BFGS: 34 16:01:15 -562.118290 0.046776 BFGS: 35 16:01:16 -562.119379 0.043455 BFGS: 36 16:01:16 -562.120390 0.042840 BFGS: 37 16:01:17 -562.121337 0.041740 BFGS: 38 16:01:18 -562.122232 0.044355 BFGS: 39 16:01:18 -562.123209 0.053651 BFGS: 40 16:01:19 -562.124516 0.067852 BFGS: 41 16:01:19 -562.126306 0.067793 BFGS: 42 16:01:20 -562.128411 0.065194 BFGS: 43 16:01:21 -562.130467 0.057500 BFGS: 44 16:01:21 -562.132331 0.054339 BFGS: 45 16:01:22 -562.134029 0.053092 BFGS: 46 16:01:23 -562.135454 0.045926 BFGS: 47 16:01:24 -562.136534 0.036443 BFGS: 48 16:01:25 -562.137511 0.036836 BFGS: 49 16:01:26 -562.138720 0.045381 BFGS: 50 16:01:27 -562.140159 0.050884 BFGS: 51 16:01:28 -562.141341 0.047960 BFGS: 52 16:01:29 -562.142005 0.036863 BFGS: 53 16:01:29 -562.142447 0.027684 BFGS: 54 16:01:30 -562.143013 0.028997 BFGS: 55 16:01:31 -562.143825 0.033346 BFGS: 56 16:01:32 -562.144735 0.030409 BFGS: 57 16:01:32 -562.145540 0.037410 BFGS: 58 16:01:33 -562.146288 0.045449 BFGS: 59 16:01:33 -562.147168 0.041954 BFGS: 60 16:01:34 -562.148138 0.030451 BFGS: 61 16:01:35 -562.148904 0.027930 BFGS: 62 16:01:35 -562.149398 0.026781 BFGS: 63 16:01:37 -562.149816 0.024390 BFGS: 64 16:01:38 -562.150316 0.026428 BFGS: 65 16:01:39 -562.150849 0.030002 BFGS: 66 16:01:40 -562.151277 0.027152 BFGS: 67 16:01:41 -562.151597 0.025045 BFGS: 68 16:01:41 -562.151909 0.024822 BFGS: 69 16:01:42 -562.152250 0.024322 BFGS: 70 16:01:43 -562.152565 0.024175 BFGS: 71 16:01:44 -562.152826 0.023923 BFGS: 72 16:01:44 -562.153084 0.023890 BFGS: 73 16:01:45 -562.153399 0.023527 BFGS: 74 16:01:46 -562.153759 0.023033 BFGS: 75 16:01:47 -562.154087 0.023003 BFGS: 76 16:01:47 -562.154356 0.022448 BFGS: 77 16:01:48 -562.154607 0.020385 BFGS: 78 16:01:48 -562.154869 0.019497 BFGS: 79 16:01:48 -562.155108 0.018630 BFGS: 80 16:01:49 -562.155290 0.018043 BFGS: 81 16:01:49 -562.155428 0.017508 BFGS: 82 16:01:49 -562.155544 0.016948 BFGS: 83 16:01:49 -562.155639 0.016233 BFGS: 84 16:01:49 -562.155710 0.015558 BFGS: 85 16:01:49 -562.155773 0.014887 BFGS: 86 16:01:50 -562.155853 0.014135 BFGS: 87 16:01:50 -562.155967 0.013145 BFGS: 88 16:01:50 -562.156111 0.014207 BFGS: 89 16:01:51 -562.156255 0.016563 BFGS: 90 16:01:51 -562.156386 0.014413 BFGS: 91 16:01:52 -562.156523 0.014867 BFGS: 92 16:01:52 -562.156689 0.016867 BFGS: 93 16:01:52 -562.156867 0.014771 BFGS: 94 16:01:53 -562.157010 0.012660 BFGS: 95 16:01:54 -562.157109 0.010862 BFGS: 96 16:01:55 -562.157199 0.011375 BFGS: 97 16:01:56 -562.157304 0.014577 BFGS: 98 16:01:57 -562.157410 0.015335 BFGS: 99 16:01:58 -562.157492 0.011643 BFGS: 100 16:02:00 -562.157548 0.011263 BFGS: 101 16:02:01 -562.157601 0.010843 BFGS: 102 16:02:01 -562.157657 0.010506 BFGS: 103 16:02:02 -562.157708 0.010533 BFGS: 104 16:02:02 -562.157746 0.010386 BFGS: 105 16:02:03 -562.157779 0.010416 BFGS: 106 16:02:04 -562.157815 0.010319 BFGS: 107 16:02:05 -562.157857 0.009944 BFGS: 108 16:02:06 -562.157904 0.009557 BFGS: 109 16:02:07 -562.157958 0.009218 BFGS: 110 16:02:08 -562.158029 0.009962 BFGS: 111 16:02:09 -562.158121 0.011501 BFGS: 112 16:02:09 -562.158225 0.011426 BFGS: 113 16:02:10 -562.158327 0.012994 BFGS: 114 16:02:11 -562.158429 0.016061 BFGS: 115 16:02:11 -562.158544 0.016574 BFGS: 116 16:02:12 -562.158668 0.013632 BFGS: 117 16:02:13 -562.158774 0.010971 BFGS: 118 16:02:14 -562.158845 0.010918 BFGS: 119 16:02:14 -562.158895 0.010076 BFGS: 120 16:02:15 -562.158941 0.009657 BFGS: 121 16:02:16 -562.158988 0.009620 BFGS: 122 16:02:16 -562.159034 0.008117 BFGS: 123 16:02:17 -562.159079 0.008286 BFGS: 124 16:02:17 -562.159124 0.009416 BFGS: 125 16:02:18 -562.159168 0.009798 BFGS: 126 16:02:19 -562.159211 0.008878 BFGS: 127 16:02:20 -562.159250 0.007207 BFGS: 128 16:02:20 -562.159285 0.005859 BFGS: 129 16:02:21 -562.159312 0.006648 BFGS: 130 16:02:22 -562.159334 0.006558 BFGS: 131 16:02:23 -562.159352 0.005328 BFGS: 132 16:02:23 -562.159366 0.004501 BFGS: 133 16:02:24 -562.159377 0.003577 BFGS: 134 16:02:25 -562.159386 0.002938 BFGS: 135 16:02:26 -562.159394 0.003350 BFGS: 136 16:02:26 -562.159402 0.003269 BFGS: 137 16:02:27 -562.159408 0.002672 BFGS: 138 16:02:28 -562.159413 0.002513 BFGS: 139 16:02:29 -562.159417 0.002795 BFGS: 140 16:02:30 -562.159421 0.002828 BFGS: 141 16:02:31 -562.159425 0.002048 BFGS: 142 16:02:32 -562.159427 0.001893 BFGS: 143 16:02:33 -562.159429 0.001814 BFGS: 144 16:02:34 -562.159432 0.002286 BFGS: 145 16:02:35 -562.159436 0.002884 BFGS: 146 16:02:35 -562.159439 0.002591 BFGS: 147 16:02:36 -562.159442 0.001907 BFGS: 148 16:02:37 -562.159443 0.001939 BFGS: 149 16:02:38 -562.159445 0.001995 BFGS: 150 16:02:39 -562.159448 0.001982 BFGS: 151 16:02:39 -562.159450 0.001964 BFGS: 152 16:02:40 -562.159452 0.001765 BFGS: 153 16:02:41 -562.159454 0.001714 BFGS: 154 16:02:41 -562.159456 0.002001 BFGS: 155 16:02:42 -562.159459 0.002151 BFGS: 156 16:02:43 -562.159461 0.002063 BFGS: 157 16:02:43 -562.159463 0.001869 BFGS: 158 16:02:44 -562.159465 0.001720 BFGS: 159 16:02:44 -562.159467 0.002147 BFGS: 160 16:02:44 -562.159471 0.002118 BFGS: 161 16:02:44 -562.159473 0.001559 BFGS: 162 16:02:44 -562.159474 0.001496 BFGS: 163 16:02:44 -562.159475 0.001456 BFGS: 164 16:02:45 -562.159476 0.001419 BFGS: 165 16:02:45 -562.159477 0.001392 BFGS: 166 16:02:45 -562.159479 0.001392 BFGS: 167 16:02:45 -562.159480 0.001414 BFGS: 168 16:02:45 -562.159481 0.001433 BFGS: 169 16:02:45 -562.159481 0.001439 BFGS: 170 16:02:45 -562.159482 0.001417 BFGS: 171 16:02:45 -562.159483 0.001358 BFGS: 172 16:02:46 -562.159484 0.001282 BFGS: 173 16:02:46 -562.159485 0.001272 BFGS: 174 16:02:46 -562.159487 0.001657 BFGS: 175 16:02:46 -562.159490 0.001768 BFGS: 176 16:02:46 -562.159494 0.001847 BFGS: 177 16:02:46 -562.159496 0.002089 BFGS: 178 16:02:46 -562.159498 0.002351 BFGS: 179 16:02:46 -562.159500 0.002321 BFGS: 180 16:02:47 -562.159504 0.002492 BFGS: 181 16:02:47 -562.159508 0.002155 BFGS: 182 16:02:47 -562.159512 0.002351 BFGS: 183 16:02:47 -562.159513 0.001976 BFGS: 184 16:02:47 -562.159514 0.001425 BFGS: 185 16:02:47 -562.159515 0.000813 BFGS: 186 16:02:47 -562.159515 0.000547 BFGS: 187 16:02:48 -562.159516 0.000357 BFGS: 188 16:02:48 -562.159516 0.000341 BFGS: 189 16:02:48 -562.159516 0.000317 BFGS: 190 16:02:48 -562.159516 0.000352 BFGS: 191 16:02:48 -562.159516 0.000325 BFGS: 192 16:02:48 -562.159516 0.000305 BFGS: 193 16:02:48 -562.159516 0.000302 BFGS: 194 16:02:49 -562.159516 0.000285 BFGS: 195 16:02:49 -562.159516 0.000281 BFGS: 196 16:02:50 -562.159516 0.000296 BFGS: 197 16:02:50 -562.159516 0.000281 BFGS: 198 16:02:51 -562.159516 0.000258 BFGS: 199 16:02:51 -562.159516 0.000317 BFGS: 200 16:02:52 -562.159516 0.000399 BFGS: 201 16:02:52 -562.159517 0.000469 BFGS: 202 16:02:53 -562.159517 0.000379 BFGS: 203 16:02:53 -562.159517 0.000231 BFGS: 204 16:02:54 -562.159517 0.000138 BFGS: 205 16:02:54 -562.159517 0.000099 BFGS: 206 16:02:54 -562.159517 0.000062 BFGS: 207 16:02:55 -562.159517 0.000036 BFGS: 208 16:02:55 -562.159517 0.000021 BFGS: 209 16:02:55 -562.159517 0.000018 BFGS: 210 16:02:56 -562.159517 0.000014 BFGS: 211 16:02:57 -562.159517 0.000010 BFGS: 212 16:02:57 -562.159517 0.000007 BFGS: 213 16:02:58 -562.159517 0.000004 BFGS: 214 16:02:59 -562.159517 0.000002 BFGS: 215 16:02:59 -562.159517 0.000003 BFGS: 216 16:03:00 -562.159517 0.000002 BFGS: 217 16:03:00 -562.159517 0.000002 BFGS: 218 16:03:01 -562.159517 0.000001 BFGS: 219 16:03:01 -562.159517 0.000000 BFGS: 220 16:03:02 -562.159517 0.000000 Minimization converged after 220 steps. Maximum force component: 4.18737333349184e-09 eV/Angstrom Maximum stress component: 1.826970672882932e-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 2.08602445e-34] [0.00000000e+00 2.43535484e-01 6.51882640e-35] [3.70488063e-01 2.71946000e-34 1.93263047e-01] [6.29511937e-01 2.17556800e-33 8.06736953e-01] [5.97741256e-01 3.62594667e-34 4.07749949e-01] [4.02258744e-01 1.54102733e-33 5.92250051e-01] [9.80655297e-01 2.49283833e-34 1.11046430e-01] [1.93447025e-02 1.45037867e-33 8.88953570e-01] [6.65088915e-01 3.17270333e-34 1.27657644e-01] [3.34911085e-01 2.35686533e-33 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([[12.673742908495152, 2.028960683077054e-18, -0.09756151931215602], [1.4244176504263719e-18, 8.498436941247187, -5.368739477608761e-18], [4.1015089438123775, -8.434050949883628e-18, 14.740487281631248]]) forces = [[ 6.29274658e-29 3.75441220e-10 -2.37178450e-28] [-6.29274658e-29 -3.75441220e-10 2.37178450e-28] [-1.23039877e-09 1.29369362e-27 -2.41282237e-09] [ 1.23039877e-09 -1.29369362e-27 2.41282237e-09] [-7.62408074e-10 -2.60466509e-27 4.04003476e-09] [ 7.62408074e-10 2.60466509e-27 -4.04003476e-09] [-3.90960153e-10 1.06000771e-29 -1.15921203e-10] [ 3.90960153e-10 -1.06000771e-29 1.15921203e-10] [ 2.38660038e-09 6.59642477e-28 -4.69410857e-10] [-2.38660038e-09 -6.59642477e-28 4.69410857e-10] [ 7.90154692e-10 -2.45413922e-27 4.18737333e-09] [-7.90154692e-10 2.45413922e-27 -4.18737333e-09] [-1.52403925e-09 -2.56509930e-28 3.20829613e-11] [ 1.52403925e-09 2.56509930e-28 -3.20829613e-11] [-2.28523024e-09 -3.02510763e-28 -8.53268428e-11] [ 2.28523024e-09 3.02510763e-28 8.53268428e-11] [-6.89997292e-10 -2.27668576e-09 -2.35863489e-09] [ 6.89997292e-10 -2.27668576e-09 2.35863489e-09] [ 6.89997292e-10 2.27668576e-09 2.35863489e-09] [-6.89997292e-10 2.27668576e-09 -2.35863489e-09] [ 6.49161606e-10 5.46859544e-10 -3.86420117e-10] [-6.49161606e-10 5.46859544e-10 3.86420117e-10] [-6.49161606e-10 -5.46859544e-10 3.86420117e-10] [ 6.49161606e-10 -5.46859544e-10 -3.86420117e-10] [-4.50529725e-10 2.29282823e-09 -2.24989588e-09] [ 4.50529725e-10 2.29282823e-09 2.24989588e-09] [ 4.50529725e-10 -2.29282823e-09 2.24989588e-09] [-4.50529725e-10 -2.29282823e-09 -2.24989588e-09] [ 1.36123066e-09 2.66216105e-09 1.14539332e-09] [-1.36123066e-09 2.66216105e-09 -1.14539332e-09] [-1.36123066e-09 -2.66216105e-09 -1.14539332e-09] [ 1.36123066e-09 -2.66216105e-09 1.14539332e-09] [-1.14385745e-09 1.21009117e-09 8.91934943e-10] [ 1.14385745e-09 1.21009117e-09 -8.91934943e-10] [ 1.14385745e-09 -1.21009117e-09 -8.91934943e-10] [-1.14385745e-09 -1.21009117e-09 8.91934943e-10] [-3.08962936e-10 -2.46732434e-09 -1.06677959e-09] [ 3.08962936e-10 -2.46732434e-09 1.06677959e-09] [ 3.08962936e-10 2.46732434e-09 1.06677959e-09] [-3.08962936e-10 2.46732434e-09 -1.06677959e-09] [ 9.41336169e-10 3.32727290e-10 1.32024067e-09] [-9.41336169e-10 3.32727290e-10 -1.32024067e-09] [-9.41336169e-10 -3.32727290e-10 -1.32024067e-09] [ 9.41336169e-10 -3.32727290e-10 1.32024067e-09] [ 8.91261405e-10 7.56975607e-10 -4.00964970e-10] [-8.91261405e-10 7.56975607e-10 4.00964970e-10] [-8.91261405e-10 -7.56975607e-10 4.00964970e-10] [ 8.91261405e-10 -7.56975607e-10 -4.00964970e-10] [-1.67004528e-10 -2.03146838e-09 -1.45039422e-09] [ 1.67004528e-10 -2.03146838e-09 1.45039422e-09] [ 1.67004528e-10 2.03146838e-09 1.45039422e-09] [-1.67004528e-10 2.03146838e-09 -1.45039422e-09] [ 3.31202616e-10 -1.88542285e-09 -9.12266896e-10] [-3.31202616e-10 -1.88542285e-09 9.12266896e-10] [-3.31202616e-10 1.88542285e-09 9.12266896e-10] [ 3.31202616e-10 1.88542285e-09 -9.12266896e-10] [ 1.92495245e-10 -1.55141852e-09 -6.76298319e-10] [-1.92495245e-10 -1.55141852e-09 6.76298319e-10] [-1.92495245e-10 1.55141852e-09 6.76298319e-10] [ 1.92495245e-10 1.55141852e-09 -6.76298319e-10] [-3.72754183e-10 1.85304956e-09 -3.66083613e-10] [ 3.72754183e-10 1.85304956e-09 3.66083613e-10] [ 3.72754183e-10 -1.85304956e-09 3.66083613e-10] [-3.72754183e-10 -1.85304956e-09 -3.66083613e-10] [-2.08925617e-09 -7.35956615e-10 -7.78710822e-10] [ 2.08925617e-09 -7.35956615e-10 7.78710822e-10] [ 2.08925617e-09 7.35956615e-10 7.78710822e-10] [-2.08925617e-09 7.35956615e-10 -7.78710822e-10] [-7.19685748e-10 -2.40875854e-10 3.32860070e-10] [ 7.19685748e-10 -2.40875854e-10 -3.32860070e-10] [ 7.19685748e-10 2.40875854e-10 -3.32860070e-10] [-7.19685748e-10 2.40875854e-10 3.32860070e-10] [-1.37939694e-11 -5.49532843e-10 -2.10738371e-11] [ 1.37939694e-11 -5.49532843e-10 2.10738371e-11] [ 1.37939694e-11 5.49532843e-10 2.10738371e-11] [-1.37939694e-11 5.49532843e-10 -2.10738371e-11] [ 1.16194479e-09 -8.13510453e-10 -1.73188311e-10] [-1.16194479e-09 -8.13510453e-10 1.73188311e-10] [-1.16194479e-09 8.13510453e-10 1.73188311e-10] [ 1.16194479e-09 8.13510453e-10 -1.73188311e-10] [-2.14697536e-09 4.85023827e-12 1.56498980e-10] [ 2.14697536e-09 4.85023827e-12 -1.56498980e-10] [ 2.14697536e-09 -4.85023827e-12 -1.56498980e-10] [-2.14697536e-09 -4.85023827e-12 1.56498980e-10]] stress = [-1.70127474e-11 9.00124315e-13 -1.60508588e-11 -2.62134490e-30 1.82697067e-11 2.40374557e-30] energy per atom = -6.692375199919455 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0