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_ZhouFosterSills_2018_FeNiCr__MO_036303866285_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 15:16:46 -16.360782 0.038897 BFGS: 1 15:16:46 -16.360842 0.033070 BFGS: 2 15:16:46 -16.360998 0.000062 BFGS: 3 15:16:46 -16.360998 0.000000 BFGS: 4 15:16:46 -16.360998 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.0362083036572569e-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 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 2.57206983e-38]] cellpar = Cell([[3.6561817702758352, 1.6294503090641835e-32, 1.7026069041759244e-32], [1.3485044374265143e-32, 3.6561817702758352, -8.929750967656282e-22], [-1.5604710289063512e-33, -8.92975096758886e-22, 3.6561817702758352]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.03620830e-13 -1.03620830e-13 -1.03620830e-13 -9.97019900e-30 -3.84196726e-35 1.98476998e-51] energy per atom = -4.090249559021831 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0