element(s): ['Sn'] AFLOW prototype label: A_tI4_141_a Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['6.0296', '0.5410475'] model name: MEAM_LAMMPS_KimJeonLee_2015_MgSn__MO_935641703527_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Sn'] representative atom coordinates = [[0 0 0]] spacegroup = 141 cell = [[6.0296, 0, 0], [0, 6.0296, 0], [0, 0, 3.2623]] ========================================= Step Time Energy fmax BFGS: 0 17:16:30 -12.298977 0.5182 BFGS: 1 17:16:30 -12.307624 0.4661 BFGS: 2 17:16:30 -12.339629 0.0825 BFGS: 3 17:16:30 -12.340310 0.0546 BFGS: 4 17:16:30 -12.340355 0.0481 BFGS: 5 17:16:30 -12.340568 0.0110 BFGS: 6 17:16:30 -12.340587 0.0036 BFGS: 7 17:16:30 -12.340589 0.0004 BFGS: 8 17:16:30 -12.340589 0.0000 BFGS: 9 17:16:30 -12.340589 0.0000 BFGS: 10 17:16:30 -12.340589 0.0000 BFGS: 11 17:16:30 -12.340589 0.0000 Minimization converged after 11 steps. Maximum force component: 7.304298014412712e-32 eV/Angstrom Maximum stress component: 3.118057389935983e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Sn', 'Sn', 'Sn', 'Sn'] basis = [[0.00000000e+00 1.43155750e-57 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [7.20860929e-34 5.00000000e-01 2.50000000e-01] [5.00000000e-01 0.00000000e+00 7.50000000e-01]] cellpar = Cell([[5.925950567818329, 7.193390307705485e-38, -3.170201853889452e-39], [-1.250344886717329e-37, 5.925950567818329, 3.2933128039727033e-21], [1.979318135569203e-39, 1.743625270817965e-21, 3.238427299786184]]) forces = [[-3.65214901e-32 -4.43326905e-70 1.95378774e-71] [-3.65214901e-32 7.30429801e-32 4.05932144e-53] [ 7.70584531e-70 -3.65214901e-32 -2.02966072e-53] [ 1.54116906e-69 -7.30429801e-32 -4.05932144e-53]] stress = [-1.95590230e-12 -1.95590230e-12 -3.11805739e-12 2.22295861e-29 -4.01428591e-35 1.26326003e-52] energy per atom = -3.085147158963594 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0