element(s): ['Ag'] 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: ['4.1492'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Ag__MO_505250810900_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ag'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.1492, 0, 0], [0, 4.1492, 0], [0, 0, 4.1492]] ========================================= Step Time Energy fmax BFGS: 0 16:46:16 -11.360120 0.4482 BFGS: 1 16:46:16 -11.368293 0.4026 BFGS: 2 16:46:16 -11.399968 0.0086 BFGS: 3 16:46:16 -11.399998 0.0007 BFGS: 4 16:46:16 -11.399981 0.0001 BFGS: 5 16:46:16 -11.399981 0.0000 BFGS: 6 16:46:16 -11.399981 0.0000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.597324437318387e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag', 'Ag', 'Ag'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 1.47164956e-36 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.089649633212315, -2.699853893935733e-32, 3.595163381500546e-33], [-2.9388496990408243e-32, 4.089649633212315, 5.551583448792485e-20], [-7.297213134538545e-33, 5.551583448792734e-20, 4.089649633212315]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 2.59732444e-12 2.59732444e-12 2.59732444e-12 -1.57456769e-28 4.79796459e-36 -1.58948383e-52] energy per atom = -2.8499951452194527 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0