element(s): ['Cr'] 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: ['3.6528'] model name: EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cr'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.6528, 0, 0], [0, 3.6528, 0], [0, 0, 3.6528]] ========================================= Step Time Energy fmax BFGS: 0 16:17:35 -16.554753 1.174954 BFGS: 1 16:17:35 -16.610807 1.049615 BFGS: 2 16:17:35 -16.737114 0.623020 BFGS: 3 16:17:35 -16.795800 0.159285 BFGS: 4 16:17:35 -16.799996 0.004527 BFGS: 5 16:17:35 -16.800000 0.000093 BFGS: 6 16:17:35 -16.800000 0.000000 BFGS: 7 16:17:35 -16.800000 0.000000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.336933888687794e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cr', 'Cr', 'Cr', 'Cr'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 2.18235684e-34 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.530000065938373, -3.525871938391759e-32, 3.280226580967891e-33], [-7.564157871466698e-33, 3.530000065938373, -1.3472832244918811e-17], [-4.34918329050411e-33, -1.3472832244918805e-17, 3.530000065938373]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 2.33693389e-13 2.33693389e-13 2.33693389e-13 2.52970333e-30 -4.94585110e-34 -8.93432692e-52] energy per atom = -4.199999985846816 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0