element(s): ['Ni'] 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: ['3.5048'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004_Ni__MO_110256178378_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]] ========================================= Step Time Energy fmax BFGS: 0 17:10:07 -17.796016 0.1575 BFGS: 1 17:10:07 -17.797008 0.1367 BFGS: 2 17:10:07 -17.799873 0.0008 BFGS: 3 17:10:07 -17.799873 0.0000 BFGS: 4 17:10:07 -17.799873 0.0000 BFGS: 5 17:10:07 -17.799873 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.0443206854184908e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni', 'Ni', 'Ni'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.5196827266478574, -6.99960087823337e-33, 1.8526351678627217e-32], [6.020362458183722e-34, 3.5196827266478574, -2.2668830595308633e-20], [-4.4302037679056656e-35, -2.2668830595290334e-20, 3.5196827266478574]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.04432069e-14 -2.04432069e-14 -2.04432069e-14 -5.56610417e-30 -2.20485871e-64 -1.11779287e-64] energy per atom = -4.449968520135603 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0