element(s): ['Cu'] 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: ['3.6146'] model name: EAM_Dynamo_FischerSchmitzEich_2019_CuNi__MO_266134052596_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.6146, 0, 0], [0, 3.6146, 0], [0, 0, 3.6146]] ========================================= Step Time Energy fmax BFGS: 0 16:53:03 -14.159998 0.0034 BFGS: 1 16:53:03 -14.159998 0.0030 BFGS: 2 16:53:03 -14.160000 0.0000 BFGS: 3 16:53:04 -14.160000 0.0000 Minimization converged after 3 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.314793092380037e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 1.01616038e-40 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.615000058101767, 1.0027104487275112e-38, -3.126623940272077e-35], [2.8410435804774596e-34, 3.615000058101767, 1.9617889986015248e-24], [-4.569493867650186e-34, 1.961788998459459e-24, 3.615000058101767]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.31479309e-11 -2.31479309e-11 -2.31479309e-11 -8.90893229e-27 -7.23240381e-61 7.90384622e-62] energy per atom = -3.5399999683809615 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0