element(s): ['Au'] 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: ['4.134'] model name: EAM_Dynamo_Zhakhovsky_2009_Au__MO_173248269481_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Au'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.134, 0, 0], [0, 4.134, 0], [0, 0, 4.134]] ========================================= Step Time Energy fmax BFGS: 0 15:04:20 -15.149743 0.866716 BFGS: 1 15:04:20 -15.179257 0.721317 BFGS: 2 15:04:20 -15.239582 0.063422 BFGS: 3 15:04:20 -15.239996 0.006397 BFGS: 4 15:04:20 -15.240000 0.000049 BFGS: 5 15:04:20 -15.240000 0.000000 BFGS: 6 15:04:20 -15.240000 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.3354018362438784e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Au', 'Au', 'Au', 'Au'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [3.36643427e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 1.48057345e-36 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.064999999993191, -1.0020346043887685e-33, 3.2875019714540436e-33], [-1.3906113960778294e-32, 4.064999999993191, -7.533634117133073e-20], [3.902544496729645e-34, -7.533634117132837e-20, 4.064999999993191]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.33540184e-14 -1.33540184e-14 -1.33540184e-14 -1.48114977e-30 3.10805087e-35 2.55694120e-51] energy per atom = -3.8100000549176047 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0