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_NormanStarikovStegailov_2012_Au__MO_592431957881_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 16:48:10 -17.110673 0.8655 BFGS: 1 16:48:10 -17.140074 0.7187 BFGS: 2 16:48:10 -17.197429 0.0149 BFGS: 3 16:48:10 -17.197451 0.0007 BFGS: 4 16:48:10 -17.197451 0.0000 BFGS: 5 16:48:10 -17.197451 0.0000 BFGS: 6 16:48:10 -17.197451 0.0000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.546244779438889e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Au', 'Au', 'Au', 'Au'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [2.10221106e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.84912440e-37]] cellpar = Cell([[4.068500653956544, -6.062650833671852e-33, 7.850211308528906e-33], [1.0094858421388432e-33, 4.068500653956544, -1.22889434557417e-20], [-1.5717744210425984e-33, -1.2288943455734126e-20, 4.068500653956544]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-4.54624478e-13 -4.54624478e-13 -4.54624478e-13 1.71682777e-28 -2.71486658e-35 5.71069300e-51] energy per atom = -4.299362808385401 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0