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 15:43:41 -1420.302842 0.980517 BFGS: 1 15:43:43 -1422.908627 0.592496 BFGS: 2 15:43:46 -1424.675085 0.381525 BFGS: 3 15:43:51 -1425.164615 0.369711 BFGS: 4 15:43:54 -1427.002990 0.094455 BFGS: 5 15:43:56 -1427.049170 0.008827 BFGS: 6 15:43:58 -1427.049696 0.004790 BFGS: 7 15:43:59 -1427.049776 0.004876 BFGS: 8 15:44:01 -1427.051484 0.028775 BFGS: 9 15:44:05 -1427.074131 0.265480 BFGS: 10 15:44:06 -1426.993994 0.791130 BFGS: 11 15:44:08 -1427.121987 0.255545 BFGS: 12 15:44:11 -1427.135267 0.316146 BFGS: 13 15:44:14 -1427.149050 0.671391 BFGS: 14 15:44:17 -1427.163073 0.502807 BFGS: 15 15:44:18 -1427.166171 0.525911 BFGS: 16 15:44:19 -1427.193628 0.751360 BFGS: 17 15:44:20 -1427.231206 0.852453 BFGS: 18 15:44:23 -1427.306799 1.088554 BFGS: 19 15:44:27 -1427.351188 1.211676 BFGS: 20 15:44:29 -1427.495362 1.287460 BFGS: 21 15:44:32 -1427.852101 1.366587 BFGS: 22 15:44:34 -1428.380569 1.327294 BFGS: 23 15:44:36 -1428.820358 1.118615 BFGS: 24 15:44:38 -1429.063264 1.016738 BFGS: 25 15:44:40 -1429.130748 1.000253 BFGS: 26 15:44:42 -1429.188438 1.009385 BFGS: 27 15:44:43 -1429.242212 1.017153 BFGS: 28 15:44:45 -1429.310441 1.005166 BFGS: 29 15:44:47 -1429.411100 0.950677 BFGS: 30 15:44:51 -1429.614317 0.800211 BFGS: 31 15:44:52 -1429.993264 0.612678 BFGS: 32 15:44:53 -1430.664416 0.504076 BFGS: 33 15:44:54 -1431.432125 0.454470 BFGS: 34 15:44:56 -1431.789150 0.350056 BFGS: 35 15:44:58 -1431.914160 0.209035 BFGS: 36 15:45:00 -1431.953338 0.101500 BFGS: 37 15:45:02 -1431.961526 0.037181 BFGS: 38 15:45:03 -1431.967749 0.029266 BFGS: 39 15:45:05 -1431.967907 0.033108 BFGS: 40 15:45:09 -1431.967936 0.035124 BFGS: 41 15:45:12 -1431.967938 0.035215 BFGS: 42 15:45:14 -1431.967944 0.035434 BFGS: 43 15:45:17 -1431.967948 0.035477 BFGS: 44 15:45:17 -1431.967966 0.035571 BFGS: 45 15:45:18 -1431.968003 0.035643 BFGS: 46 15:45:19 -1431.968110 0.035677 BFGS: 47 15:45:23 -1431.968370 0.035502 BFGS: 48 15:45:24 -1431.969002 0.034610 BFGS: 49 15:45:26 -1431.970328 0.031707 BFGS: 50 15:45:29 -1431.972397 0.024465 BFGS: 51 15:45:32 -1431.974163 0.012939 BFGS: 52 15:45:35 -1431.974785 0.003915 BFGS: 53 15:45:37 -1431.974863 0.000683 BFGS: 54 15:45:39 -1431.974865 0.000072 BFGS: 55 15:45:41 -1431.974865 0.000008 BFGS: 56 15:45:43 -1431.974865 0.000001 BFGS: 57 15:45:44 -1431.974865 0.000000 BFGS: 58 15:45:46 -1431.974865 0.000000 BFGS: 59 15:45:47 -1431.974865 0.000000 Minimization converged after 59 steps. Maximum force component: 2.477481446831022e-09 eV/Angstrom Maximum stress component: 9.879353537356826e-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] [9.59534659e-36 9.52115389e-01 7.65058119e-01] [0.00000000e+00 4.78846114e-02 2.34941881e-01] [0.00000000e+00 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 0.00000000e+00] [9.52115389e-01 7.65058119e-01 1.22709393e-35] [4.78846114e-02 2.34941881e-01 0.00000000e+00] [9.52115389e-01 2.34941881e-01 0.00000000e+00] [1.81559270e-34 5.47884611e-01 2.65058119e-01] [0.00000000e+00 4.52115389e-01 2.65058119e-01] [2.20496435e-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 1.22368037e-35] [5.47884611e-01 7.34941881e-01 0.00000000e+00] [4.52115389e-01 7.34941881e-01 0.00000000e+00] [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] 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[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] 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-1.44518526e-09 9.60297619e-10] [-9.60297619e-10 -5.16503093e-10 -1.44518526e-09] [ 9.60297619e-10 -5.16503093e-10 1.44518526e-09] [-9.60297619e-10 5.16503093e-10 1.44518526e-09] [ 9.60297619e-10 5.16503093e-10 -1.44518526e-09] [-1.44518526e-09 -9.60297619e-10 -5.16503093e-10] [ 1.44518526e-09 9.60297619e-10 -5.16503093e-10] [ 1.44518526e-09 -9.60297619e-10 5.16503093e-10] [-1.44518526e-09 9.60297619e-10 5.16503093e-10] [-5.16503093e-10 -1.44518526e-09 -9.60297619e-10] [-5.16503093e-10 1.44518526e-09 9.60297619e-10] [ 5.16503093e-10 1.44518526e-09 -9.60297619e-10] [ 5.16503093e-10 -1.44518526e-09 9.60297619e-10] [-9.60297619e-10 -5.16503093e-10 -1.44518526e-09] [ 9.60297619e-10 -5.16503093e-10 1.44518526e-09] [-9.60297619e-10 5.16503093e-10 1.44518526e-09] [ 9.60297619e-10 5.16503093e-10 -1.44518526e-09] [-1.44518526e-09 -9.60297619e-10 -5.16503093e-10] [ 1.44518526e-09 9.60297619e-10 -5.16503093e-10] [ 1.44518526e-09 -9.60297619e-10 5.16503093e-10] [-1.44518526e-09 9.60297619e-10 5.16503093e-10] [-5.16503093e-10 -1.44518526e-09 -9.60297619e-10] [-5.16503093e-10 1.44518526e-09 9.60297619e-10] [ 5.16503093e-10 1.44518526e-09 -9.60297619e-10] [ 5.16503093e-10 -1.44518526e-09 9.60297619e-10] [-9.60297619e-10 -5.16503093e-10 -1.44518526e-09] [ 9.60297619e-10 -5.16503093e-10 1.44518526e-09] [-9.60297619e-10 5.16503093e-10 1.44518526e-09] [ 9.60297619e-10 5.16503093e-10 -1.44518526e-09] [ 1.44518526e-09 9.60297619e-10 5.16503093e-10] [-1.44518526e-09 -9.60297619e-10 5.16503093e-10] [-1.44518526e-09 9.60297619e-10 -5.16503093e-10] [ 1.44518526e-09 -9.60297619e-10 -5.16503093e-10] [ 5.16503093e-10 1.44518526e-09 9.60297619e-10] [ 5.16503093e-10 -1.44518526e-09 -9.60297619e-10] [-5.16503093e-10 -1.44518526e-09 9.60297619e-10] [-5.16503093e-10 1.44518526e-09 -9.60297619e-10] [ 9.60297619e-10 5.16503093e-10 1.44518526e-09] [-9.60297619e-10 5.16503093e-10 -1.44518526e-09] [ 9.60297619e-10 -5.16503093e-10 -1.44518526e-09] [-9.60297619e-10 -5.16503093e-10 1.44518526e-09] [ 1.44518526e-09 9.60297619e-10 5.16503093e-10] [-1.44518526e-09 -9.60297619e-10 5.16503093e-10] [-1.44518526e-09 9.60297619e-10 -5.16503093e-10] [ 1.44518526e-09 -9.60297619e-10 -5.16503093e-10] [ 5.16503093e-10 1.44518526e-09 9.60297619e-10] [ 5.16503093e-10 -1.44518526e-09 -9.60297619e-10] [-5.16503093e-10 -1.44518526e-09 9.60297619e-10] [-5.16503093e-10 1.44518526e-09 -9.60297619e-10] [ 9.60297619e-10 5.16503093e-10 1.44518526e-09] [-9.60297619e-10 5.16503093e-10 -1.44518526e-09] [ 9.60297619e-10 -5.16503093e-10 -1.44518526e-09] [-9.60297619e-10 -5.16503093e-10 1.44518526e-09] [ 1.44518526e-09 9.60297619e-10 5.16503093e-10] [-1.44518526e-09 -9.60297619e-10 5.16503093e-10] [-1.44518526e-09 9.60297619e-10 -5.16503093e-10] [ 1.44518526e-09 -9.60297619e-10 -5.16503093e-10] [ 5.16503093e-10 1.44518526e-09 9.60297619e-10] [ 5.16503093e-10 -1.44518526e-09 -9.60297619e-10] [-5.16503093e-10 -1.44518526e-09 9.60297619e-10] [-5.16503093e-10 1.44518526e-09 -9.60297619e-10] [ 9.60297619e-10 5.16503093e-10 1.44518526e-09] [-9.60297619e-10 5.16503093e-10 -1.44518526e-09] [ 9.60297619e-10 -5.16503093e-10 -1.44518526e-09] [-9.60297619e-10 -5.16503093e-10 1.44518526e-09] [ 1.44518526e-09 9.60297619e-10 5.16503093e-10] [-1.44518526e-09 -9.60297619e-10 5.16503093e-10] [-1.44518526e-09 9.60297619e-10 -5.16503093e-10] [ 1.44518526e-09 -9.60297619e-10 -5.16503093e-10] [ 5.16503093e-10 1.44518526e-09 9.60297619e-10] [ 5.16503093e-10 -1.44518526e-09 -9.60297619e-10] [-5.16503093e-10 -1.44518526e-09 9.60297619e-10] [-5.16503093e-10 1.44518526e-09 -9.60297619e-10] [ 9.60297619e-10 5.16503093e-10 1.44518526e-09] [-9.60297619e-10 5.16503093e-10 -1.44518526e-09] [ 9.60297619e-10 -5.16503093e-10 -1.44518526e-09] [-9.60297619e-10 -5.16503093e-10 1.44518526e-09]] stress = [ 9.87935354e-13 9.87935354e-13 9.87935354e-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