element(s): ['C'] AFLOW prototype label: A_cF240_202_h2i Parameter names: ['a', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['14.9028', '0.54695135', '0.26622863', '0.59565647', '0.79644753', '0.57883118', '0.67452263', '0.34523288', '0.048719901'] model name: MEAM_LAMMPS_NouranianTschoppGwaltney_2014_CH__MO_354152387712_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C'] representative atom coordinates = [[0. 0.04695135 0.76622863] [0.59565647 0.79644753 0.57883118] [0.67452263 0.34523288 0.0487199 ]] spacegroup = 202 cell = [[14.9028, 0, 0], [0, 14.9028, 0], [0, 0, 14.9028]] ========================================= Step Time Energy fmax BFGS: 0 17:41:05 -1420.302842 0.9805 BFGS: 1 17:41:06 -1422.908627 0.5925 BFGS: 2 17:41:07 -1424.675085 0.3815 BFGS: 3 17:41:08 -1425.164615 0.3697 BFGS: 4 17:41:09 -1427.002990 0.0945 BFGS: 5 17:41:11 -1427.049170 0.0088 BFGS: 6 17:41:12 -1427.049696 0.0048 BFGS: 7 17:41:14 -1427.049776 0.0049 BFGS: 8 17:41:15 -1427.051484 0.0288 BFGS: 9 17:41:17 -1427.074131 0.2655 BFGS: 10 17:41:19 -1426.993994 0.7911 BFGS: 11 17:41:21 -1427.121987 0.2555 BFGS: 12 17:41:23 -1427.135267 0.3161 BFGS: 13 17:41:24 -1427.149050 0.6714 BFGS: 14 17:41:25 -1427.163073 0.5028 BFGS: 15 17:41:26 -1427.166171 0.5259 BFGS: 16 17:41:28 -1427.193628 0.7514 BFGS: 17 17:41:29 -1427.231206 0.8525 BFGS: 18 17:41:30 -1427.306799 1.0886 BFGS: 19 17:41:32 -1427.351188 1.2117 BFGS: 20 17:41:33 -1427.495362 1.2875 BFGS: 21 17:41:34 -1427.852101 1.3666 BFGS: 22 17:41:36 -1428.380569 1.3273 BFGS: 23 17:41:37 -1428.820358 1.1186 BFGS: 24 17:41:38 -1429.063264 1.0167 BFGS: 25 17:41:39 -1429.130748 1.0003 BFGS: 26 17:41:41 -1429.188438 1.0094 BFGS: 27 17:41:42 -1429.242212 1.0172 BFGS: 28 17:41:43 -1429.310441 1.0052 BFGS: 29 17:41:44 -1429.411100 0.9507 BFGS: 30 17:41:45 -1429.614317 0.8002 BFGS: 31 17:41:46 -1429.993264 0.6127 BFGS: 32 17:41:47 -1430.664416 0.5041 BFGS: 33 17:41:49 -1431.432125 0.4545 BFGS: 34 17:41:50 -1431.789150 0.3501 BFGS: 35 17:41:51 -1431.914160 0.2090 BFGS: 36 17:41:52 -1431.953338 0.1015 BFGS: 37 17:41:53 -1431.961526 0.0372 BFGS: 38 17:41:54 -1431.967749 0.0293 BFGS: 39 17:41:55 -1431.967907 0.0331 BFGS: 40 17:41:56 -1431.967936 0.0351 BFGS: 41 17:41:58 -1431.967938 0.0352 BFGS: 42 17:41:59 -1431.967944 0.0354 BFGS: 43 17:42:00 -1431.967948 0.0355 BFGS: 44 17:42:02 -1431.967966 0.0356 BFGS: 45 17:42:03 -1431.968003 0.0356 BFGS: 46 17:42:04 -1431.968110 0.0357 BFGS: 47 17:42:05 -1431.968370 0.0355 BFGS: 48 17:42:06 -1431.969002 0.0346 BFGS: 49 17:42:08 -1431.970328 0.0317 BFGS: 50 17:42:09 -1431.972397 0.0245 BFGS: 51 17:42:11 -1431.974163 0.0129 BFGS: 52 17:42:12 -1431.974785 0.0039 BFGS: 53 17:42:13 -1431.974863 0.0007 BFGS: 54 17:42:14 -1431.974865 0.0001 BFGS: 55 17:42:15 -1431.974865 0.0000 BFGS: 56 17:42:16 -1431.974865 0.0000 BFGS: 57 17:42:18 -1431.974865 0.0000 BFGS: 58 17:42:19 -1431.974865 0.0000 BFGS: 59 17:42:20 -1431.974865 0.0000 Minimization converged after 59 steps. Maximum force component: 2.4774893377981183e-09 eV/Angstrom Maximum stress component: 9.876995907927054e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.00000000e+00 4.78846114e-02 7.65058119e-01] [0.00000000e+00 9.52115389e-01 7.65058119e-01] [0.00000000e+00 4.78846114e-02 2.34941881e-01] [2.53366486e-36 9.52115389e-01 2.34941881e-01] [7.65058119e-01 1.00000000e+00 4.78846114e-02] [7.65058119e-01 1.00000000e+00 9.52115389e-01] [2.34941881e-01 1.00000000e+00 4.78846114e-02] [2.34941881e-01 1.00000000e+00 9.52115389e-01] [4.78846114e-02 7.65058119e-01 1.28260177e-34] [9.52115389e-01 7.65058119e-01 0.00000000e+00] [4.78846114e-02 2.34941881e-01 4.40809873e-37] [9.52115389e-01 2.34941881e-01 0.00000000e+00] [1.05218257e-34 5.47884611e-01 2.65058119e-01] [0.00000000e+00 4.52115389e-01 2.65058119e-01] [2.01215768e-34 5.47884611e-01 7.34941881e-01] [0.00000000e+00 4.52115389e-01 7.34941881e-01] [7.65058119e-01 5.00000000e-01 5.47884611e-01] [7.65058119e-01 5.00000000e-01 4.52115389e-01] [2.34941881e-01 5.00000000e-01 5.47884611e-01] [2.34941881e-01 5.00000000e-01 4.52115389e-01] [4.78846114e-02 2.65058119e-01 5.00000000e-01] [9.52115389e-01 2.65058119e-01 5.00000000e-01] [4.78846114e-02 7.34941881e-01 5.00000000e-01] [9.52115389e-01 7.34941881e-01 5.00000000e-01] [5.00000000e-01 4.78846114e-02 2.65058119e-01] [5.00000000e-01 9.52115389e-01 2.65058119e-01] [5.00000000e-01 4.78846114e-02 7.34941881e-01] [5.00000000e-01 9.52115389e-01 7.34941881e-01] [2.65058119e-01 1.00000000e+00 5.47884611e-01] [2.65058119e-01 1.00000000e+00 4.52115389e-01] [7.34941881e-01 1.00000000e+00 5.47884611e-01] [7.34941881e-01 1.00000000e+00 4.52115389e-01] [5.47884611e-01 7.65058119e-01 5.00000000e-01] [4.52115389e-01 7.65058119e-01 5.00000000e-01] [5.47884611e-01 2.34941881e-01 5.00000000e-01] [4.52115389e-01 2.34941881e-01 5.00000000e-01] [5.00000000e-01 5.47884611e-01 7.65058119e-01] [5.00000000e-01 4.52115389e-01 7.65058119e-01] [5.00000000e-01 5.47884611e-01 2.34941881e-01] [5.00000000e-01 4.52115389e-01 2.34941881e-01] [2.65058119e-01 5.00000000e-01 4.78846114e-02] [2.65058119e-01 5.00000000e-01 9.52115389e-01] [7.34941881e-01 5.00000000e-01 4.78846114e-02] [7.34941881e-01 5.00000000e-01 9.52115389e-01] [5.47884611e-01 2.65058119e-01 0.00000000e+00] [4.52115389e-01 2.65058119e-01 0.00000000e+00] [5.47884611e-01 7.34941881e-01 4.85901610e-37] [4.52115389e-01 7.34941881e-01 8.38479126e-37] [5.82420466e-01 8.16198478e-01 5.73237166e-01] [4.17579534e-01 1.83801522e-01 5.73237166e-01] [4.17579534e-01 8.16198478e-01 4.26762834e-01] [5.82420466e-01 1.83801522e-01 4.26762834e-01] [5.73237166e-01 5.82420466e-01 8.16198478e-01] [5.73237166e-01 4.17579534e-01 1.83801522e-01] [4.26762834e-01 4.17579534e-01 8.16198478e-01] [4.26762834e-01 5.82420466e-01 1.83801522e-01] [8.16198478e-01 5.73237166e-01 5.82420466e-01] [1.83801522e-01 5.73237166e-01 4.17579534e-01] [8.16198478e-01 4.26762834e-01 4.17579534e-01] [1.83801522e-01 4.26762834e-01 5.82420466e-01] [5.82420466e-01 3.16198478e-01 7.32371656e-02] [4.17579534e-01 6.83801522e-01 7.32371656e-02] [4.17579534e-01 3.16198478e-01 9.26762834e-01] [5.82420466e-01 6.83801522e-01 9.26762834e-01] [5.73237166e-01 8.24204663e-02 3.16198478e-01] [5.73237166e-01 9.17579534e-01 6.83801522e-01] [4.26762834e-01 9.17579534e-01 3.16198478e-01] [4.26762834e-01 8.24204663e-02 6.83801522e-01] [8.16198478e-01 7.32371656e-02 8.24204663e-02] [1.83801522e-01 7.32371656e-02 9.17579534e-01] [8.16198478e-01 9.26762834e-01 9.17579534e-01] [1.83801522e-01 9.26762834e-01 8.24204663e-02] [8.24204663e-02 8.16198478e-01 7.32371656e-02] [9.17579534e-01 1.83801522e-01 7.32371656e-02] [9.17579534e-01 8.16198478e-01 9.26762834e-01] [8.24204663e-02 1.83801522e-01 9.26762834e-01] [7.32371656e-02 5.82420466e-01 3.16198478e-01] [7.32371656e-02 4.17579534e-01 6.83801522e-01] [9.26762834e-01 4.17579534e-01 3.16198478e-01] [9.26762834e-01 5.82420466e-01 6.83801522e-01] [3.16198478e-01 5.73237166e-01 8.24204663e-02] [6.83801522e-01 5.73237166e-01 9.17579534e-01] [3.16198478e-01 4.26762834e-01 9.17579534e-01] [6.83801522e-01 4.26762834e-01 8.24204663e-02] [8.24204663e-02 3.16198478e-01 5.73237166e-01] [9.17579534e-01 6.83801522e-01 5.73237166e-01] [9.17579534e-01 3.16198478e-01 4.26762834e-01] [8.24204663e-02 6.83801522e-01 4.26762834e-01] [7.32371656e-02 8.24204663e-02 8.16198478e-01] [7.32371656e-02 9.17579534e-01 1.83801522e-01] [9.26762834e-01 9.17579534e-01 8.16198478e-01] [9.26762834e-01 8.24204663e-02 1.83801522e-01] [3.16198478e-01 7.32371656e-02 5.82420466e-01] [6.83801522e-01 7.32371656e-02 4.17579534e-01] [3.16198478e-01 9.26762834e-01 4.17579534e-01] [6.83801522e-01 9.26762834e-01 5.82420466e-01] [4.17579534e-01 1.83801522e-01 4.26762834e-01] [5.82420466e-01 8.16198478e-01 4.26762834e-01] [5.82420466e-01 1.83801522e-01 5.73237166e-01] [4.17579534e-01 8.16198478e-01 5.73237166e-01] [4.26762834e-01 4.17579534e-01 1.83801522e-01] [4.26762834e-01 5.82420466e-01 8.16198478e-01] [5.73237166e-01 5.82420466e-01 1.83801522e-01] [5.73237166e-01 4.17579534e-01 8.16198478e-01] [1.83801522e-01 4.26762834e-01 4.17579534e-01] [8.16198478e-01 4.26762834e-01 5.82420466e-01] [1.83801522e-01 5.73237166e-01 5.82420466e-01] [8.16198478e-01 5.73237166e-01 4.17579534e-01] [4.17579534e-01 6.83801522e-01 9.26762834e-01] [5.82420466e-01 3.16198478e-01 9.26762834e-01] [5.82420466e-01 6.83801522e-01 7.32371656e-02] [4.17579534e-01 3.16198478e-01 7.32371656e-02] [4.26762834e-01 9.17579534e-01 6.83801522e-01] [4.26762834e-01 8.24204663e-02 3.16198478e-01] [5.73237166e-01 8.24204663e-02 6.83801522e-01] [5.73237166e-01 9.17579534e-01 3.16198478e-01] [1.83801522e-01 9.26762834e-01 9.17579534e-01] [8.16198478e-01 9.26762834e-01 8.24204663e-02] [1.83801522e-01 7.32371656e-02 8.24204663e-02] [8.16198478e-01 7.32371656e-02 9.17579534e-01] [9.17579534e-01 1.83801522e-01 9.26762834e-01] [8.24204663e-02 8.16198478e-01 9.26762834e-01] [8.24204663e-02 1.83801522e-01 7.32371656e-02] [9.17579534e-01 8.16198478e-01 7.32371656e-02] [9.26762834e-01 4.17579534e-01 6.83801522e-01] [9.26762834e-01 5.82420466e-01 3.16198478e-01] [7.32371656e-02 5.82420466e-01 6.83801522e-01] [7.32371656e-02 4.17579534e-01 3.16198478e-01] [6.83801522e-01 4.26762834e-01 9.17579534e-01] [3.16198478e-01 4.26762834e-01 8.24204663e-02] [6.83801522e-01 5.73237166e-01 8.24204663e-02] [3.16198478e-01 5.73237166e-01 9.17579534e-01] [9.17579534e-01 6.83801522e-01 4.26762834e-01] [8.24204663e-02 3.16198478e-01 4.26762834e-01] [8.24204663e-02 6.83801522e-01 5.73237166e-01] [9.17579534e-01 3.16198478e-01 5.73237166e-01] [9.26762834e-01 9.17579534e-01 1.83801522e-01] [9.26762834e-01 8.24204663e-02 8.16198478e-01] [7.32371656e-02 8.24204663e-02 1.83801522e-01] [7.32371656e-02 9.17579534e-01 8.16198478e-01] [6.83801522e-01 9.26762834e-01 4.17579534e-01] [3.16198478e-01 9.26762834e-01 5.82420466e-01] [6.83801522e-01 7.32371656e-02 5.82420466e-01] [3.16198478e-01 7.32371656e-02 4.17579534e-01] [6.72112605e-01 3.38205576e-01 4.78846114e-02] [3.27887395e-01 6.61794424e-01 4.78846114e-02] [3.27887395e-01 3.38205576e-01 9.52115389e-01] [6.72112605e-01 6.61794424e-01 9.52115389e-01] [4.78846114e-02 6.72112605e-01 3.38205576e-01] [4.78846114e-02 3.27887395e-01 6.61794424e-01] [9.52115389e-01 3.27887395e-01 3.38205576e-01] [9.52115389e-01 6.72112605e-01 6.61794424e-01] [3.38205576e-01 4.78846114e-02 6.72112605e-01] [6.61794424e-01 4.78846114e-02 3.27887395e-01] [3.38205576e-01 9.52115389e-01 3.27887395e-01] [6.61794424e-01 9.52115389e-01 6.72112605e-01] [6.72112605e-01 8.38205576e-01 5.47884611e-01] [3.27887395e-01 1.61794424e-01 5.47884611e-01] [3.27887395e-01 8.38205576e-01 4.52115389e-01] [6.72112605e-01 1.61794424e-01 4.52115389e-01] [4.78846114e-02 1.72112605e-01 8.38205576e-01] [4.78846114e-02 8.27887395e-01 1.61794424e-01] [9.52115389e-01 8.27887395e-01 8.38205576e-01] [9.52115389e-01 1.72112605e-01 1.61794424e-01] [3.38205576e-01 5.47884611e-01 1.72112605e-01] [6.61794424e-01 5.47884611e-01 8.27887395e-01] [3.38205576e-01 4.52115389e-01 8.27887395e-01] [6.61794424e-01 4.52115389e-01 1.72112605e-01] [1.72112605e-01 3.38205576e-01 5.47884611e-01] [8.27887395e-01 6.61794424e-01 5.47884611e-01] [8.27887395e-01 3.38205576e-01 4.52115389e-01] [1.72112605e-01 6.61794424e-01 4.52115389e-01] [5.47884611e-01 6.72112605e-01 8.38205576e-01] [5.47884611e-01 3.27887395e-01 1.61794424e-01] [4.52115389e-01 3.27887395e-01 8.38205576e-01] [4.52115389e-01 6.72112605e-01 1.61794424e-01] [8.38205576e-01 4.78846114e-02 1.72112605e-01] [1.61794424e-01 4.78846114e-02 8.27887395e-01] [8.38205576e-01 9.52115389e-01 8.27887395e-01] [1.61794424e-01 9.52115389e-01 1.72112605e-01] [1.72112605e-01 8.38205576e-01 4.78846114e-02] [8.27887395e-01 1.61794424e-01 4.78846114e-02] [8.27887395e-01 8.38205576e-01 9.52115389e-01] [1.72112605e-01 1.61794424e-01 9.52115389e-01] [5.47884611e-01 1.72112605e-01 3.38205576e-01] [5.47884611e-01 8.27887395e-01 6.61794424e-01] [4.52115389e-01 8.27887395e-01 3.38205576e-01] [4.52115389e-01 1.72112605e-01 6.61794424e-01] [8.38205576e-01 5.47884611e-01 6.72112605e-01] [1.61794424e-01 5.47884611e-01 3.27887395e-01] [8.38205576e-01 4.52115389e-01 3.27887395e-01] [1.61794424e-01 4.52115389e-01 6.72112605e-01] [3.27887395e-01 6.61794424e-01 9.52115389e-01] [6.72112605e-01 3.38205576e-01 9.52115389e-01] [6.72112605e-01 6.61794424e-01 4.78846114e-02] [3.27887395e-01 3.38205576e-01 4.78846114e-02] [9.52115389e-01 3.27887395e-01 6.61794424e-01] [9.52115389e-01 6.72112605e-01 3.38205576e-01] [4.78846114e-02 6.72112605e-01 6.61794424e-01] [4.78846114e-02 3.27887395e-01 3.38205576e-01] [6.61794424e-01 9.52115389e-01 3.27887395e-01] [3.38205576e-01 9.52115389e-01 6.72112605e-01] [6.61794424e-01 4.78846114e-02 6.72112605e-01] [3.38205576e-01 4.78846114e-02 3.27887395e-01] [3.27887395e-01 1.61794424e-01 4.52115389e-01] [6.72112605e-01 8.38205576e-01 4.52115389e-01] [6.72112605e-01 1.61794424e-01 5.47884611e-01] [3.27887395e-01 8.38205576e-01 5.47884611e-01] [9.52115389e-01 8.27887395e-01 1.61794424e-01] [9.52115389e-01 1.72112605e-01 8.38205576e-01] [4.78846114e-02 1.72112605e-01 1.61794424e-01] [4.78846114e-02 8.27887395e-01 8.38205576e-01] [6.61794424e-01 4.52115389e-01 8.27887395e-01] [3.38205576e-01 4.52115389e-01 1.72112605e-01] [6.61794424e-01 5.47884611e-01 1.72112605e-01] [3.38205576e-01 5.47884611e-01 8.27887395e-01] [8.27887395e-01 6.61794424e-01 4.52115389e-01] [1.72112605e-01 3.38205576e-01 4.52115389e-01] [1.72112605e-01 6.61794424e-01 5.47884611e-01] [8.27887395e-01 3.38205576e-01 5.47884611e-01] [4.52115389e-01 3.27887395e-01 1.61794424e-01] [4.52115389e-01 6.72112605e-01 8.38205576e-01] [5.47884611e-01 6.72112605e-01 1.61794424e-01] [5.47884611e-01 3.27887395e-01 8.38205576e-01] [1.61794424e-01 9.52115389e-01 8.27887395e-01] [8.38205576e-01 9.52115389e-01 1.72112605e-01] [1.61794424e-01 4.78846114e-02 1.72112605e-01] [8.38205576e-01 4.78846114e-02 8.27887395e-01] [8.27887395e-01 1.61794424e-01 9.52115389e-01] [1.72112605e-01 8.38205576e-01 9.52115389e-01] [1.72112605e-01 1.61794424e-01 4.78846114e-02] [8.27887395e-01 8.38205576e-01 4.78846114e-02] [4.52115389e-01 8.27887395e-01 6.61794424e-01] [4.52115389e-01 1.72112605e-01 3.38205576e-01] [5.47884611e-01 1.72112605e-01 6.61794424e-01] [5.47884611e-01 8.27887395e-01 3.38205576e-01] [1.61794424e-01 4.52115389e-01 3.27887395e-01] [8.38205576e-01 4.52115389e-01 6.72112605e-01] [1.61794424e-01 5.47884611e-01 6.72112605e-01] [8.38205576e-01 5.47884611e-01 3.27887395e-01]] cellpar = Cell([[14.894728816095189, 1.0828354246876136e-36, 0.0], [5.467191057553097e-37, 14.894728816095189, 0.0], [0.0, 0.0, 14.894728816095189]]) forces = [[ 9.09375909e-47 2.47748934e-09 3.18853015e-10] [-9.09375909e-47 -2.47748934e-09 3.18853015e-10] [ 9.09375909e-47 2.47748934e-09 -3.18853015e-10] [-9.09375909e-47 -2.47748934e-09 -3.18853015e-10] [ 3.18853015e-10 2.31803710e-47 2.47748934e-09] [ 3.18853015e-10 2.31803710e-47 -2.47748934e-09] [-3.18853015e-10 -2.31803710e-47 2.47748934e-09] [-3.18853015e-10 -2.31803710e-47 -2.47748934e-09] [ 2.47748934e-09 3.18853015e-10 0.00000000e+00] [-2.47748934e-09 3.18853015e-10 0.00000000e+00] [ 2.47748934e-09 -3.18853015e-10 0.00000000e+00] [-2.47748934e-09 -3.18853015e-10 0.00000000e+00] [ 9.09375909e-47 2.47748934e-09 3.18853015e-10] [-9.09375909e-47 -2.47748934e-09 3.18853015e-10] [ 9.09375909e-47 2.47748934e-09 -3.18853015e-10] [-9.09375909e-47 -2.47748934e-09 -3.18853015e-10] [ 3.18853015e-10 2.31803710e-47 2.47748934e-09] [ 3.18853015e-10 2.31803710e-47 -2.47748934e-09] [-3.18853015e-10 -2.31803710e-47 2.47748934e-09] [-3.18853015e-10 -2.31803710e-47 -2.47748934e-09] [ 2.47748934e-09 3.18853015e-10 0.00000000e+00] [-2.47748934e-09 3.18853015e-10 0.00000000e+00] [ 2.47748934e-09 -3.18853015e-10 0.00000000e+00] [-2.47748934e-09 -3.18853015e-10 0.00000000e+00] [ 9.09375909e-47 2.47748934e-09 3.18853015e-10] [-9.09375909e-47 -2.47748934e-09 3.18853015e-10] [ 9.09375909e-47 2.47748934e-09 -3.18853015e-10] [-9.09375909e-47 -2.47748934e-09 -3.18853015e-10] [ 3.18853015e-10 2.31803710e-47 2.47748934e-09] [ 3.18853015e-10 2.31803710e-47 -2.47748934e-09] [-3.18853015e-10 -2.31803710e-47 2.47748934e-09] [-3.18853015e-10 -2.31803710e-47 -2.47748934e-09] [ 2.47748934e-09 3.18853015e-10 0.00000000e+00] [-2.47748934e-09 3.18853015e-10 0.00000000e+00] [ 2.47748934e-09 -3.18853015e-10 0.00000000e+00] [-2.47748934e-09 -3.18853015e-10 0.00000000e+00] [ 9.09375909e-47 2.47748934e-09 3.18853015e-10] [-9.09375909e-47 -2.47748934e-09 3.18853015e-10] [ 9.09375909e-47 2.47748934e-09 -3.18853015e-10] [-9.09375909e-47 -2.47748934e-09 -3.18853015e-10] [ 3.18853015e-10 2.31803710e-47 2.47748934e-09] [ 3.18853015e-10 2.31803710e-47 -2.47748934e-09] [-3.18853015e-10 -2.31803710e-47 2.47748934e-09] [-3.18853015e-10 -2.31803710e-47 -2.47748934e-09] [ 2.47748934e-09 3.18853015e-10 0.00000000e+00] [-2.47748934e-09 3.18853015e-10 0.00000000e+00] [ 2.47748934e-09 -3.18853015e-10 0.00000000e+00] [-2.47748934e-09 -3.18853015e-10 0.00000000e+00] [ 8.22014162e-10 -2.79682238e-10 -4.06492585e-10] [-8.22014162e-10 2.79682238e-10 -4.06492585e-10] [-8.22014162e-10 -2.79682238e-10 4.06492585e-10] [ 8.22014162e-10 2.79682238e-10 4.06492585e-10] [-4.06492585e-10 8.22014162e-10 -2.79682238e-10] [-4.06492585e-10 -8.22014162e-10 2.79682238e-10] [ 4.06492585e-10 -8.22014162e-10 -2.79682238e-10] [ 4.06492585e-10 8.22014162e-10 2.79682238e-10] [-2.79682238e-10 -4.06492585e-10 8.22014162e-10] [ 2.79682238e-10 -4.06492585e-10 -8.22014162e-10] [-2.79682238e-10 4.06492585e-10 -8.22014162e-10] [ 2.79682238e-10 4.06492585e-10 8.22014162e-10] [ 8.22014162e-10 -2.79682238e-10 -4.06492585e-10] [-8.22014162e-10 2.79682238e-10 -4.06492585e-10] [-8.22014162e-10 -2.79682238e-10 4.06492585e-10] [ 8.22014162e-10 2.79682238e-10 4.06492585e-10] [-4.06492585e-10 8.22014162e-10 -2.79682238e-10] [-4.06492585e-10 -8.22014162e-10 2.79682238e-10] [ 4.06492585e-10 -8.22014162e-10 -2.79682238e-10] [ 4.06492585e-10 8.22014162e-10 2.79682238e-10] [-2.79682238e-10 -4.06492585e-10 8.22014162e-10] [ 2.79682238e-10 -4.06492585e-10 -8.22014162e-10] [-2.79682238e-10 4.06492585e-10 -8.22014162e-10] [ 2.79682238e-10 4.06492585e-10 8.22014162e-10] [ 8.22014162e-10 -2.79682238e-10 -4.06492585e-10] [-8.22014162e-10 2.79682238e-10 -4.06492585e-10] [-8.22014162e-10 -2.79682238e-10 4.06492585e-10] [ 8.22014162e-10 2.79682238e-10 4.06492585e-10] [-4.06492585e-10 8.22014162e-10 -2.79682238e-10] [-4.06492585e-10 -8.22014162e-10 2.79682238e-10] [ 4.06492585e-10 -8.22014162e-10 -2.79682238e-10] [ 4.06492585e-10 8.22014162e-10 2.79682238e-10] [-2.79682238e-10 -4.06492585e-10 8.22014162e-10] [ 2.79682238e-10 -4.06492585e-10 -8.22014162e-10] [-2.79682238e-10 4.06492585e-10 -8.22014162e-10] [ 2.79682238e-10 4.06492585e-10 8.22014162e-10] [ 8.22014162e-10 -2.79682238e-10 -4.06492585e-10] [-8.22014162e-10 2.79682238e-10 -4.06492585e-10] [-8.22014162e-10 -2.79682238e-10 4.06492585e-10] [ 8.22014162e-10 2.79682238e-10 4.06492585e-10] [-4.06492585e-10 8.22014162e-10 -2.79682238e-10] [-4.06492585e-10 -8.22014162e-10 2.79682238e-10] [ 4.06492585e-10 -8.22014162e-10 -2.79682238e-10] [ 4.06492585e-10 8.22014162e-10 2.79682238e-10] [-2.79682238e-10 -4.06492585e-10 8.22014162e-10] [ 2.79682238e-10 -4.06492585e-10 -8.22014162e-10] [-2.79682238e-10 4.06492585e-10 -8.22014162e-10] [ 2.79682238e-10 4.06492585e-10 8.22014162e-10] [-8.22014162e-10 2.79682238e-10 4.06492585e-10] [ 8.22014162e-10 -2.79682238e-10 4.06492585e-10] [ 8.22014162e-10 2.79682238e-10 -4.06492585e-10] [-8.22014162e-10 -2.79682238e-10 -4.06492585e-10] [ 4.06492585e-10 -8.22014162e-10 2.79682238e-10] [ 4.06492585e-10 8.22014162e-10 -2.79682238e-10] [-4.06492585e-10 8.22014162e-10 2.79682238e-10] [-4.06492585e-10 -8.22014162e-10 -2.79682238e-10] [ 2.79682238e-10 4.06492585e-10 -8.22014162e-10] [-2.79682238e-10 4.06492585e-10 8.22014162e-10] [ 2.79682238e-10 -4.06492585e-10 8.22014162e-10] [-2.79682238e-10 -4.06492585e-10 -8.22014162e-10] [-8.22014162e-10 2.79682238e-10 4.06492585e-10] [ 8.22014162e-10 -2.79682238e-10 4.06492585e-10] [ 8.22014162e-10 2.79682238e-10 -4.06492585e-10] [-8.22014162e-10 -2.79682238e-10 -4.06492585e-10] [ 4.06492585e-10 -8.22014162e-10 2.79682238e-10] [ 4.06492585e-10 8.22014162e-10 -2.79682238e-10] [-4.06492585e-10 8.22014162e-10 2.79682238e-10] [-4.06492585e-10 -8.22014162e-10 -2.79682238e-10] [ 2.79682238e-10 4.06492585e-10 -8.22014162e-10] [-2.79682238e-10 4.06492585e-10 8.22014162e-10] [ 2.79682238e-10 -4.06492585e-10 8.22014162e-10] [-2.79682238e-10 -4.06492585e-10 -8.22014162e-10] [-8.22014162e-10 2.79682238e-10 4.06492585e-10] [ 8.22014162e-10 -2.79682238e-10 4.06492585e-10] [ 8.22014162e-10 2.79682238e-10 -4.06492585e-10] [-8.22014162e-10 -2.79682238e-10 -4.06492585e-10] [ 4.06492585e-10 -8.22014162e-10 2.79682238e-10] [ 4.06492585e-10 8.22014162e-10 -2.79682238e-10] [-4.06492585e-10 8.22014162e-10 2.79682238e-10] [-4.06492585e-10 -8.22014162e-10 -2.79682238e-10] [ 2.79682238e-10 4.06492585e-10 -8.22014162e-10] [-2.79682238e-10 4.06492585e-10 8.22014162e-10] [ 2.79682238e-10 -4.06492585e-10 8.22014162e-10] [-2.79682238e-10 -4.06492585e-10 -8.22014162e-10] [-8.22014162e-10 2.79682238e-10 4.06492585e-10] [ 8.22014162e-10 -2.79682238e-10 4.06492585e-10] [ 8.22014162e-10 2.79682238e-10 -4.06492585e-10] [-8.22014162e-10 -2.79682238e-10 -4.06492585e-10] [ 4.06492585e-10 -8.22014162e-10 2.79682238e-10] [ 4.06492585e-10 8.22014162e-10 -2.79682238e-10] [-4.06492585e-10 8.22014162e-10 2.79682238e-10] [-4.06492585e-10 -8.22014162e-10 -2.79682238e-10] [ 2.79682238e-10 4.06492585e-10 -8.22014162e-10] [-2.79682238e-10 4.06492585e-10 8.22014162e-10] [ 2.79682238e-10 -4.06492585e-10 8.22014162e-10] [-2.79682238e-10 -4.06492585e-10 -8.22014162e-10] [-1.44519179e-09 -9.60312899e-10 -5.16501347e-10] [ 1.44519179e-09 9.60312899e-10 -5.16501347e-10] [ 1.44519179e-09 -9.60312899e-10 5.16501347e-10] [-1.44519179e-09 9.60312899e-10 5.16501347e-10] [-5.16501347e-10 -1.44519179e-09 -9.60312899e-10] [-5.16501347e-10 1.44519179e-09 9.60312899e-10] [ 5.16501347e-10 1.44519179e-09 -9.60312899e-10] [ 5.16501347e-10 -1.44519179e-09 9.60312899e-10] [-9.60312899e-10 -5.16501347e-10 -1.44519179e-09] [ 9.60312899e-10 -5.16501347e-10 1.44519179e-09] [-9.60312899e-10 5.16501347e-10 1.44519179e-09] [ 9.60312899e-10 5.16501347e-10 -1.44519179e-09] [-1.44519179e-09 -9.60312899e-10 -5.16501347e-10] [ 1.44519179e-09 9.60312899e-10 -5.16501347e-10] [ 1.44519179e-09 -9.60312899e-10 5.16501347e-10] [-1.44519179e-09 9.60312899e-10 5.16501347e-10] [-5.16501347e-10 -1.44519179e-09 -9.60312899e-10] [-5.16501347e-10 1.44519179e-09 9.60312899e-10] [ 5.16501347e-10 1.44519179e-09 -9.60312899e-10] [ 5.16501347e-10 -1.44519179e-09 9.60312899e-10] [-9.60312899e-10 -5.16501347e-10 -1.44519179e-09] [ 9.60312899e-10 -5.16501347e-10 1.44519179e-09] [-9.60312899e-10 5.16501347e-10 1.44519179e-09] [ 9.60312899e-10 5.16501347e-10 -1.44519179e-09] [-1.44519179e-09 -9.60312899e-10 -5.16501347e-10] [ 1.44519179e-09 9.60312899e-10 -5.16501347e-10] [ 1.44519179e-09 -9.60312899e-10 5.16501347e-10] [-1.44519179e-09 9.60312899e-10 5.16501347e-10] [-5.16501347e-10 -1.44519179e-09 -9.60312899e-10] [-5.16501347e-10 1.44519179e-09 9.60312899e-10] [ 5.16501347e-10 1.44519179e-09 -9.60312899e-10] [ 5.16501347e-10 -1.44519179e-09 9.60312899e-10] [-9.60312899e-10 -5.16501347e-10 -1.44519179e-09] [ 9.60312899e-10 -5.16501347e-10 1.44519179e-09] [-9.60312899e-10 5.16501347e-10 1.44519179e-09] [ 9.60312899e-10 5.16501347e-10 -1.44519179e-09] [-1.44519179e-09 -9.60312899e-10 -5.16501347e-10] [ 1.44519179e-09 9.60312899e-10 -5.16501347e-10] [ 1.44519179e-09 -9.60312899e-10 5.16501347e-10] [-1.44519179e-09 9.60312899e-10 5.16501347e-10] [-5.16501347e-10 -1.44519179e-09 -9.60312899e-10] [-5.16501347e-10 1.44519179e-09 9.60312899e-10] [ 5.16501347e-10 1.44519179e-09 -9.60312899e-10] [ 5.16501347e-10 -1.44519179e-09 9.60312899e-10] [-9.60312899e-10 -5.16501347e-10 -1.44519179e-09] [ 9.60312899e-10 -5.16501347e-10 1.44519179e-09] [-9.60312899e-10 5.16501347e-10 1.44519179e-09] [ 9.60312899e-10 5.16501347e-10 -1.44519179e-09] [ 1.44519179e-09 9.60312899e-10 5.16501347e-10] [-1.44519179e-09 -9.60312899e-10 5.16501347e-10] [-1.44519179e-09 9.60312899e-10 -5.16501347e-10] [ 1.44519179e-09 -9.60312899e-10 -5.16501347e-10] [ 5.16501347e-10 1.44519179e-09 9.60312899e-10] [ 5.16501347e-10 -1.44519179e-09 -9.60312899e-10] [-5.16501347e-10 -1.44519179e-09 9.60312899e-10] [-5.16501347e-10 1.44519179e-09 -9.60312899e-10] [ 9.60312899e-10 5.16501347e-10 1.44519179e-09] [-9.60312899e-10 5.16501347e-10 -1.44519179e-09] [ 9.60312899e-10 -5.16501347e-10 -1.44519179e-09] [-9.60312899e-10 -5.16501347e-10 1.44519179e-09] [ 1.44519179e-09 9.60312899e-10 5.16501347e-10] [-1.44519179e-09 -9.60312899e-10 5.16501347e-10] [-1.44519179e-09 9.60312899e-10 -5.16501347e-10] [ 1.44519179e-09 -9.60312899e-10 -5.16501347e-10] [ 5.16501347e-10 1.44519179e-09 9.60312899e-10] [ 5.16501347e-10 -1.44519179e-09 -9.60312899e-10] [-5.16501347e-10 -1.44519179e-09 9.60312899e-10] [-5.16501347e-10 1.44519179e-09 -9.60312899e-10] [ 9.60312899e-10 5.16501347e-10 1.44519179e-09] [-9.60312899e-10 5.16501347e-10 -1.44519179e-09] [ 9.60312899e-10 -5.16501347e-10 -1.44519179e-09] [-9.60312899e-10 -5.16501347e-10 1.44519179e-09] [ 1.44519179e-09 9.60312899e-10 5.16501347e-10] [-1.44519179e-09 -9.60312899e-10 5.16501347e-10] [-1.44519179e-09 9.60312899e-10 -5.16501347e-10] [ 1.44519179e-09 -9.60312899e-10 -5.16501347e-10] [ 5.16501347e-10 1.44519179e-09 9.60312899e-10] [ 5.16501347e-10 -1.44519179e-09 -9.60312899e-10] [-5.16501347e-10 -1.44519179e-09 9.60312899e-10] [-5.16501347e-10 1.44519179e-09 -9.60312899e-10] [ 9.60312899e-10 5.16501347e-10 1.44519179e-09] [-9.60312899e-10 5.16501347e-10 -1.44519179e-09] [ 9.60312899e-10 -5.16501347e-10 -1.44519179e-09] [-9.60312899e-10 -5.16501347e-10 1.44519179e-09] [ 1.44519179e-09 9.60312899e-10 5.16501347e-10] [-1.44519179e-09 -9.60312899e-10 5.16501347e-10] [-1.44519179e-09 9.60312899e-10 -5.16501347e-10] [ 1.44519179e-09 -9.60312899e-10 -5.16501347e-10] [ 5.16501347e-10 1.44519179e-09 9.60312899e-10] [ 5.16501347e-10 -1.44519179e-09 -9.60312899e-10] [-5.16501347e-10 -1.44519179e-09 9.60312899e-10] [-5.16501347e-10 1.44519179e-09 -9.60312899e-10] [ 9.60312899e-10 5.16501347e-10 1.44519179e-09] [-9.60312899e-10 5.16501347e-10 -1.44519179e-09] [ 9.60312899e-10 -5.16501347e-10 -1.44519179e-09] [-9.60312899e-10 -5.16501347e-10 1.44519179e-09]] stress = [ 9.87699591e-13 9.87699591e-13 9.87699591e-13 0.00000000e+00 0.00000000e+00 -1.48157619e-34] energy per atom = -5.96656193895577 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0