element(s): ['Pt'] 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: ['3.949'] model name: EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Pt__MO_757342646688_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Pt'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.949, 0, 0], [0, 3.949, 0], [0, 0, 3.949]] ========================================= Step Time Energy fmax BFGS: 0 15:27:35 -23.054598 0.567466 BFGS: 1 15:27:35 -23.066568 0.416248 BFGS: 2 15:27:35 -23.079967 0.021235 BFGS: 3 15:27:36 -23.080000 0.000736 BFGS: 4 15:27:36 -23.080000 0.000001 BFGS: 5 15:27:36 -23.080000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.7400865543463465e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pt', 'Pt', 'Pt', 'Pt'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.92000004670772, 1.535596549995017e-33, -4.871893157568284e-37], [1.0407359873448603e-33, 3.92000004670772, 2.3743240421291603e-19], [1.8721851771564893e-38, 2.3743240421291607e-19, 3.92000004670772]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-4.74008655e-12 -4.74008655e-12 -4.74008655e-12 2.52076332e-31 -1.67111785e-35 -2.93401460e-55] energy per atom = -5.769999999342533 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0