element(s): ['N'] AFLOW prototype label: A_cP8_205_c Parameter names: ['a', 'x1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.8863', '0.054565089'] model name: MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['N'] representative atom coordinates = [[0.05456509 0.05456509 0.05456509]] spacegroup = 205 cell = [[5.8863, 0, 0], [0, 5.8863, 0], [0, 0, 5.8863]] ========================================= Step Time Energy fmax BFGS: 0 14:24:52 -35.684224 3.8145 BFGS: 1 14:24:52 -30.068817 39.2231 BFGS: 2 14:24:52 -35.841513 1.5265 BFGS: 3 14:24:52 -35.914289 1.0444 BFGS: 4 14:24:52 -36.083740 1.2500 BFGS: 5 14:24:52 -36.228793 1.8035 BFGS: 6 14:24:52 -36.364536 2.4667 BFGS: 7 14:24:52 -36.495556 2.9065 BFGS: 8 14:24:52 -36.623135 3.1851 BFGS: 9 14:24:52 -36.747397 3.3439 BFGS: 10 14:24:52 -36.868042 3.4126 BFGS: 11 14:24:52 -36.984646 3.4142 BFGS: 12 14:24:52 -37.096807 3.3668 BFGS: 13 14:24:52 -37.204213 3.2848 BFGS: 14 14:24:52 -37.306663 3.1796 BFGS: 15 14:24:52 -37.404072 3.0600 BFGS: 16 14:24:52 -37.496451 2.9326 BFGS: 17 14:24:52 -37.583891 2.8024 BFGS: 18 14:24:52 -37.666539 2.6729 BFGS: 19 14:24:52 -37.744581 2.5463 BFGS: 20 14:24:53 -37.818224 2.4244 BFGS: 21 14:24:53 -37.887688 2.3080 BFGS: 22 14:24:53 -37.953194 2.1976 BFGS: 23 14:24:53 -38.014960 2.0933 BFGS: 24 14:24:53 -38.073197 1.9952 BFGS: 25 14:24:53 -38.128110 1.9030 BFGS: 26 14:24:53 -38.179890 1.8165 BFGS: 27 14:24:53 -38.228719 1.7353 BFGS: 28 14:24:53 -38.274770 1.6590 BFGS: 29 14:24:53 -38.318203 1.5874 BFGS: 30 14:24:53 -38.359170 1.5201 BFGS: 31 14:24:53 -38.397815 1.4567 BFGS: 32 14:24:53 -38.434270 1.3970 BFGS: 33 14:24:53 -38.468661 1.3406 BFGS: 34 14:24:53 -38.501106 1.2874 BFGS: 35 14:24:53 -38.531717 1.2371 BFGS: 36 14:24:53 -38.560597 1.1894 BFGS: 37 14:24:53 -38.587846 1.1442 BFGS: 38 14:24:53 -38.613555 1.1013 BFGS: 39 14:24:53 -38.637811 1.0606 BFGS: 40 14:24:53 -38.660697 1.0218 BFGS: 41 14:24:53 -38.682290 0.9849 BFGS: 42 14:24:53 -38.702663 0.9497 BFGS: 43 14:24:53 -38.721884 0.9161 BFGS: 44 14:24:53 -38.740018 0.8840 BFGS: 45 14:24:53 -38.757127 0.8533 BFGS: 46 14:24:53 -38.773268 0.8240 BFGS: 47 14:24:53 -38.788495 0.7959 BFGS: 48 14:24:53 -38.804173 0.7422 BFGS: 49 14:24:53 -38.841236 0.4604 BFGS: 50 14:24:53 -38.939208 0.8663 BFGS: 51 14:24:53 -39.037529 0.7819 BFGS: 52 14:24:53 -39.039731 0.2568 BFGS: 53 14:24:53 -39.040000 0.0028 BFGS: 54 14:24:53 -39.040000 0.0000 BFGS: 55 14:24:53 -39.040000 0.0000 Minimization converged after 55 steps. Maximum force component: 1.7952187884399495e-10 eV/Angstrom Maximum stress component: 1.0074009498319497e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N'] basis = [[0.04135548 0.04135548 0.04135548] [0.45864452 0.95864452 0.54135548] [0.95864452 0.54135548 0.45864452] [0.54135548 0.45864452 0.95864452] [0.95864452 0.95864452 0.95864452] [0.54135548 0.04135548 0.45864452] [0.04135548 0.45864452 0.54135548] [0.45864452 0.54135548 0.04135548]] cellpar = Cell([[7.678369788279039, -5.260544664485406e-36, 0.0], [1.070036533907046e-35, 7.678369788279039, 0.0], [0.0, 0.0, 7.678369788279039]]) forces = [[ 1.79521879e-10 1.79521879e-10 1.79521879e-10] [-1.79521879e-10 -1.79521879e-10 1.79521879e-10] [-1.79521879e-10 1.79521879e-10 -1.79521879e-10] [ 1.79521879e-10 -1.79521879e-10 -1.79521879e-10] [-1.79521879e-10 -1.79521879e-10 -1.79521879e-10] [ 1.79521879e-10 1.79521879e-10 -1.79521879e-10] [ 1.79521879e-10 -1.79521879e-10 1.79521879e-10] [-1.79521879e-10 1.79521879e-10 1.79521879e-10]] stress = [-1.00740095e-12 -1.00740095e-12 -1.00740095e-12 0.00000000e+00 0.00000000e+00 2.78754026e-34] energy per atom = -4.880000000000021 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0