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_KimKoLee_2020_NaSn__MO_329881861557_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 17:27:41 -12.303234 0.695057 BFGS: 1 17:27:41 -12.321368 0.639560 BFGS: 2 17:27:41 -12.387278 0.334125 BFGS: 3 17:27:41 -12.406834 0.089816 BFGS: 4 17:27:41 -12.407176 0.048164 BFGS: 5 17:27:41 -12.407228 0.045352 BFGS: 6 17:27:41 -12.407799 0.001205 BFGS: 7 17:27:41 -12.407800 0.000036 BFGS: 8 17:27:41 -12.407800 0.000001 BFGS: 9 17:27:41 -12.407800 0.000000 BFGS: 10 17:27:41 -12.407800 0.000000 Minimization converged after 10 steps. Maximum force component: 2.5035929023762498e-33 eV/Angstrom Maximum stress component: 2.625281947079306e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Sn', 'Sn', 'Sn', 'Sn'] basis = [[3.6879254e-34 0.0000000e+00 0.0000000e+00] [5.0000000e-01 5.0000000e-01 5.0000000e-01] [0.0000000e+00 5.0000000e-01 2.5000000e-01] [5.0000000e-01 0.0000000e+00 7.5000000e-01]] cellpar = Cell([[5.858883408251624, 1.4587836360295694e-36, 2.3571751133831292e-37], [1.6497999792590908e-39, 5.858883408251625, 6.850393109004268e-19], [-1.4201165227938166e-50, 3.6914069910084407e-19, 3.205904247995308]]) forces = [[ 2.82094975e-34 1.83361734e-33 2.14392380e-52] [ 1.78728704e-73 6.34713694e-34 7.42127469e-53] [-2.82094975e-34 -2.50359290e-33 -2.92728057e-52] [-5.64189950e-34 2.82094975e-34 3.29834430e-53]] stress = [-2.62528195e-12 -2.62528195e-12 2.11940879e-12 1.47785870e-28 -1.44401794e-62 -2.64075853e-67] energy per atom = -3.101949956299234 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0