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_FoilesBaskesDaw_1986Universal3_Ag__MO_626948998302_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 16:46:15 -11.360511 0.4484 BFGS: 1 16:46:15 -11.368682 0.4019 BFGS: 2 16:46:15 -11.399994 0.0057 BFGS: 3 16:46:15 -11.400000 0.0004 BFGS: 4 16:46:15 -11.400000 0.0000 BFGS: 5 16:46:15 -11.400000 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.957801272414008e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag', 'Ag', 'Ag'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[4.089999923589506, -3.676027381183254e-40, 3.137111258056287e-33], [6.062727464875882e-41, 4.089999923589506, -8.646402391467203e-21], [3.913503421286899e-33, -8.646402391469212e-21, 4.089999923589506]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 1.95780127e-12 1.95780127e-12 1.95780127e-12 -4.34719217e-28 -3.07017137e-35 1.02257254e-50] energy per atom = -2.8500000015662077 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0