element(s): ['Al'] 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: ['4.039'] model name: EAM_Dynamo_LiuOhotnickyAdams_1997_AlMg__MO_559870613549_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]] ========================================= Step Time Energy fmax BFGS: 0 09:44:03 -13.439775 0.0424 BFGS: 1 09:44:03 -13.439848 0.0386 BFGS: 2 09:44:03 -13.440211 0.0002 BFGS: 3 09:44:03 -13.440211 0.0000 BFGS: 4 09:44:03 -13.440211 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.354439853433516e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 7.16477162e-35 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.032082346008482, 1.6584987808762753e-32, -1.5727018776218891e-34], [1.5706533913627285e-32, 4.032082346008482, 1.4085665207459888e-18], [1.0022161074269487e-34, 1.4085665207459892e-18, 4.032082346008482]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [2.35443985e-12 2.35443985e-12 2.35443985e-12 2.09691100e-30 2.36925440e-34 1.69243777e-52] energy per atom = -3.3600527231373793 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0