element(s): ['Fe', 'Ni'] AFLOW prototype label: AB2_cF24_227_a_d Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['6.6153'] model name: MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Fe', 'Ni'] representative atom coordinates = [[0. 0. 0. ] [0.625 0.625 0.625]] spacegroup = 227 cell = [[6.6153, 0, 0], [0, 6.6153, 0], [0, 0, 6.6153]] ========================================= Step Time Energy fmax BFGS: 0 14:03:24 -105.883640 0.085842 BFGS: 1 14:03:24 -105.883952 0.083777 BFGS: 2 14:03:24 -105.890256 0.001056 BFGS: 3 14:03:25 -105.890257 0.000013 BFGS: 4 14:03:25 -105.890257 0.000000 Minimization converged after 4 steps. Maximum force component: 3.5197130945996802e-31 eV/Angstrom Maximum stress component: 1.7510658894115398e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni'] basis = [[0.00000000e+00 2.56868229e-34 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 2.05432215e-33 5.00000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01] [6.25000000e-01 6.25000000e-01 6.25000000e-01] [3.75000000e-01 8.75000000e-01 1.25000000e-01] [8.75000000e-01 1.25000000e-01 3.75000000e-01] [1.25000000e-01 3.75000000e-01 8.75000000e-01] [8.75000000e-01 3.75000000e-01 1.25000000e-01] [3.75000000e-01 1.25000000e-01 8.75000000e-01] [1.25000000e-01 8.75000000e-01 3.75000000e-01] [6.25000000e-01 1.25000000e-01 1.25000000e-01] [3.75000000e-01 3.75000000e-01 6.25000000e-01] [8.75000000e-01 6.25000000e-01 8.75000000e-01] [8.75000000e-01 8.75000000e-01 6.25000000e-01] [3.75000000e-01 6.25000000e-01 3.75000000e-01] [1.25000000e-01 6.25000000e-01 1.25000000e-01] [6.25000000e-01 3.75000000e-01 3.75000000e-01] [6.25000000e-01 8.75000000e-01 8.75000000e-01] [1.25000000e-01 1.25000000e-01 6.25000000e-01]] cellpar = Cell([[6.629526690701505, 5.408482781113042e-41, -1.0539524301142191e-34], [-7.345989076580887e-41, 6.629526690701505, -8.677356995771705e-21], [-1.7986197369832305e-34, -8.677356995771705e-21, 6.629526690701505]]) forces = [[-1.70240053e-33 1.19168037e-32 1.87264058e-32] [ 7.66080238e-33 5.53280172e-33 -1.70240053e-33] [-2.21312069e-32 -3.91552122e-32 6.80960212e-33] [ 1.57738049e-32 -2.46848077e-32 1.70240053e-33] [-1.70240053e-33 5.61792175e-32 5.10720159e-33] [ 1.19168037e-32 -1.70240053e-32 8.51200265e-33] [-7.66080238e-33 -3.48992109e-32 9.36320291e-33] [-6.80960212e-33 4.00064124e-32 -5.23642093e-53] [ 8.85248275e-32 1.22572838e-31 -5.44768169e-32] [-3.51971309e-31 1.70240053e-31 -2.31526472e-31] [ 1.93860860e-31 2.38336074e-32 -1.78752056e-32] [ 2.04288064e-32 2.11097666e-31 -1.25977639e-31] [ 1.56620849e-31 1.22572838e-31 9.53344296e-32] [ 2.24716870e-31 -3.91552122e-32 -5.78816180e-32] [-1.77049655e-31 -1.36192042e-32 -5.44768169e-32] [-2.72384085e-32 6.80960212e-32 -1.36192042e-31] [-2.07692865e-31 1.49811247e-31 7.32032228e-32] [ 1.37894443e-31 -5.10720159e-33 -5.44768169e-32] [-3.26860902e-31 -5.44768169e-32 -8.17152254e-32] [ 1.43001644e-31 8.00128249e-32 -1.06400033e-32] [ 4.34156619e-66 3.40480106e-33 -1.60025650e-31] [-5.44768169e-32 -1.36192042e-31 -4.76672148e-32] [ 1.77049655e-31 7.15008222e-32 -8.85248275e-32] [ 6.80960212e-32 1.29382440e-31 -5.44768169e-32]] stress = [-1.75106589e-10 -1.75106589e-10 -1.75106589e-10 -1.66778878e-33 -8.76406186e-36 -4.21524579e-59] energy per atom = -4.412094061984314 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0