element(s): ['Cr', 'Ni'] AFLOW prototype label: A2B_cF24_227_c_b Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['6.5911'] model name: EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cr', 'Ni'] representative atom coordinates = [[0.125 0.125 0.125] [0.5 0.5 0.5 ]] spacegroup = 227 cell = [[6.5911, 0, 0], [0, 6.5911, 0], [0, 0, 6.5911]] ========================================= Step Time Energy fmax BFGS: 0 17:17:00 -97.453348 0.017669 BFGS: 1 17:17:00 -97.453361 0.017317 BFGS: 2 17:17:01 -97.453686 0.000144 BFGS: 3 17:17:02 -97.453686 0.000001 BFGS: 4 17:17:03 -97.453686 0.000000 Minimization converged after 4 steps. Maximum force component: 2.706611140943228e-31 eV/Angstrom Maximum stress component: 8.134110368708436e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni'] basis = [[1.25000000e-01 1.25000000e-01 1.25000000e-01] [8.75000000e-01 3.75000000e-01 6.25000000e-01] [3.75000000e-01 6.25000000e-01 8.75000000e-01] [6.25000000e-01 8.75000000e-01 3.75000000e-01] [3.75000000e-01 8.75000000e-01 6.25000000e-01] [8.75000000e-01 6.25000000e-01 3.75000000e-01] [6.25000000e-01 3.75000000e-01 8.75000000e-01] [1.25000000e-01 6.25000000e-01 6.25000000e-01] [8.75000000e-01 8.75000000e-01 1.25000000e-01] [3.75000000e-01 1.25000000e-01 3.75000000e-01] [3.75000000e-01 3.75000000e-01 1.25000000e-01] [8.75000000e-01 1.25000000e-01 8.75000000e-01] [6.25000000e-01 1.25000000e-01 6.25000000e-01] [1.25000000e-01 8.75000000e-01 8.75000000e-01] [1.25000000e-01 3.75000000e-01 3.75000000e-01] [6.25000000e-01 6.25000000e-01 1.25000000e-01] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 1.82483265e-33] [1.28395330e-34 1.41234733e-33 5.00000000e-01] [3.85185989e-34 5.00000000e-01 1.32496493e-33] [2.50000000e-01 7.50000000e-01 2.50000000e-01] [7.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 2.50000000e-01 2.50000000e-01] [2.50000000e-01 2.50000000e-01 7.50000000e-01]] cellpar = Cell([[6.587591495810103, 2.887404897315434e-35, -1.1698044567771502e-36], [3.7031915244608386e-33, 6.587591495810103, -1.5524072831140678e-22], [3.0653397948930228e-34, -1.5524072831140678e-22, 6.587591495810103]]) forces = [[-8.11983342e-32 1.21797501e-31 1.08264446e-31] [ 2.02995836e-32 1.04881182e-31 -1.69163196e-31] [-4.73656950e-32 -1.21797501e-31 -9.47313899e-32] [-1.48863613e-31 6.08987507e-32 1.21797501e-31] [ 1.01497918e-31 -9.47313899e-32 -6.76652785e-33] [-1.08264446e-31 -2.70661114e-32 2.70661114e-32] [ 1.08264446e-31 5.41322228e-32 3.38326393e-32] [-1.01497918e-31 1.35330557e-31 1.21797501e-31] [ 6.76652785e-32 2.70661114e-32 -1.21797501e-31] [-6.76652785e-33 -1.27565981e-54 5.41322228e-32] [ 4.73656950e-32 1.69163196e-31 -1.48863613e-31] [-6.76652785e-33 -1.48863613e-31 -1.35330557e-31] [-8.11983342e-32 8.11983342e-32 1.21797501e-31] [ 2.70661114e-32 -1.38713821e-31 3.38326393e-32] [ 2.70661114e-32 -2.70661114e-31 1.62396668e-31] [-8.79648621e-32 1.01497918e-31 9.47313899e-32] [ 4.22907991e-33 5.92071187e-33 4.22907991e-33] [ 5.92071187e-33 -5.23219843e-55 2.22026695e-32] [-1.18414237e-32 -8.45815982e-33 -5.49780388e-33] [ 1.69163196e-33 1.43788717e-32 1.31101477e-32] [ 8.45815982e-34 -1.99321845e-55 8.45815982e-33] [ 5.07489589e-33 8.45815982e-34 -1.90308596e-33] [ 1.01497918e-32 3.89075352e-32 1.94537676e-32] [ 1.35330557e-32 1.86079516e-32 9.09252180e-33]] stress = [ 8.13411037e-12 8.13411037e-12 8.13411037e-12 2.94961151e-28 -1.47933288e-35 -1.63109077e-52] energy per atom = -4.060570241618272 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0