element(s): ['Sn'] AFLOW prototype label: A_cF8_227_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['6.7273'] model name: MEAM_LAMMPS_KimKoLee_2020_NaSn__MO_329881861557_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Sn'] representative atom coordinates = [[0 0 0]] spacegroup = 227 cell = [[6.7273, 0, 0], [0, 6.7273, 0], [0, 0, 6.7273]] ========================================= Step Time Energy fmax BFGS: 0 15:45:14 -24.929654 0.546532 BFGS: 1 15:45:14 -24.942199 0.524652 BFGS: 2 15:45:14 -25.010078 0.378701 BFGS: 3 15:45:14 -25.055286 0.222280 BFGS: 4 15:45:14 -25.076212 0.054839 BFGS: 5 15:45:14 -25.077503 0.002492 BFGS: 6 15:45:14 -25.077505 0.000026 BFGS: 7 15:45:14 -25.077505 0.000000 BFGS: 8 15:45:14 -25.077505 0.000000 Minimization converged after 8 steps. Maximum force component: 9.126253993652132e-32 eV/Angstrom Maximum stress component: 1.6121570683426347e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [3.40247624e-33 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 0.00000000e+00 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]] cellpar = Cell([[6.581419436309846, 1.8795186322181607e-33, -1.2406396040438694e-33], [-1.2641674389217845e-33, 6.581419436309846, -1.1573422286741153e-17], [1.7730565532931152e-32, -1.1573422286741176e-17, 6.581419436309846]]) forces = [[ 3.38009407e-32 -3.08339474e-50 1.75342380e-32] [-1.69004704e-32 -4.05611289e-32 -8.45023518e-33] [ 1.94355409e-32 -2.36606585e-32 2.28156350e-32] [-2.19706115e-32 3.04208466e-32 1.18303293e-32] [-1.69004704e-32 3.38009407e-32 1.85905174e-32] [-1.77454939e-32 -1.35203763e-32 2.37755739e-50] [ 3.04208466e-32 -1.22528410e-32 2.13368438e-32] [-2.02805644e-32 9.12625399e-32 3.38009407e-33]] stress = [-1.61215707e-15 -1.61215707e-15 -1.61215707e-15 -1.12138234e-30 6.23105018e-65 -4.33199871e-65] energy per atom = -3.1346881439915295 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0