element(s): ['Mg'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.2446'] model name: EAM_Dynamo_LiuOhotnickyAdams_1997_AlMg__MO_559870613549_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Mg'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.2446, 0, 0], [0, 4.2446, 0], [0, 0, 4.2446]] ========================================= Step Time Energy fmax BFGS: 0 15:17:25 -5.578335 1.323616 BFGS: 1 15:17:25 -5.648915 1.166749 BFGS: 2 15:17:25 -5.795723 0.802194 BFGS: 3 15:17:25 -5.892853 0.504134 BFGS: 4 15:17:25 -5.950164 0.270219 BFGS: 5 15:17:25 -5.976814 0.091624 BFGS: 6 15:17:25 -5.980564 0.005334 BFGS: 7 15:17:25 -5.980576 0.000130 BFGS: 8 15:17:25 -5.980576 0.000000 BFGS: 9 15:17:25 -5.980576 0.000000 Minimization converged after 9 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.962607764517287e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Mg', 'Mg', 'Mg', 'Mg'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 3.79350818e-34 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.60289078e-35]] cellpar = Cell([[4.505757581044698, 3.298136528841111e-33, -5.183761000883674e-34], [-2.0351654254472247e-34, 4.505757581044698, -3.331605030324802e-19], [-8.028879963277804e-35, -3.3316050303248076e-19, 4.505757581044698]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-6.96260776e-11 -6.96260776e-11 -6.96260776e-11 7.08683591e-27 6.32431630e-36 -6.11008685e-52] energy per atom = -1.4951440714106294 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0