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_AdamsFoilesWolfer_1989Universal6_Ag__MO_681640899874_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 15:01:29 -11.360511 0.448395 BFGS: 1 15:01:29 -11.368682 0.401855 BFGS: 2 15:01:29 -11.399994 0.005685 BFGS: 3 15:01:29 -11.400000 0.000443 BFGS: 4 15:01:29 -11.400000 0.000000 BFGS: 5 15:01:29 -11.400000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.966005731026654e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag', 'Ag', 'Ag'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [1.67292857e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.08999989186957, -3.0136931429783494e-33, -2.3612434954589816e-33], [1.0037862642747517e-33, 4.08999989186957, 2.2924581803182684e-19], [-1.0498706433648182e-32, 2.2924581803184495e-19, 4.08999989186957]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 1.96600573e-12 1.96600573e-12 1.96600573e-12 -3.52502422e-28 7.67542856e-36 -1.32810480e-51] energy per atom = -2.8500000012966926 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0