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 17:27:41 -12.298977 0.518244 BFGS: 1 17:27:41 -12.307624 0.466136 BFGS: 2 17:27:41 -12.339629 0.082478 BFGS: 3 17:27:41 -12.340310 0.054639 BFGS: 4 17:27:41 -12.340355 0.048121 BFGS: 5 17:27:41 -12.340568 0.011036 BFGS: 6 17:27:41 -12.340587 0.003568 BFGS: 7 17:27:41 -12.340589 0.000388 BFGS: 8 17:27:41 -12.340589 0.000039 BFGS: 9 17:27:41 -12.340589 0.000001 BFGS: 10 17:27:41 -12.340589 0.000000 BFGS: 11 17:27:41 -12.340589 0.000000 Minimization converged after 11 steps. Maximum force component: 4.98958728750345e-33 eV/Angstrom Maximum stress component: 3.1177654198611075e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Sn', 'Sn', 'Sn', 'Sn'] basis = [[9.89327003e-35 0.00000000e+00 9.48595315e-38] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [9.17644444e-37 5.00000000e-01 2.50000000e-01] [5.00000000e-01 0.00000000e+00 7.50000000e-01]] cellpar = Cell([[5.92595056781833, 2.0167928462954497e-37, -1.3488030678172332e-54], [-1.9511589767146778e-36, 5.92595056781833, -3.759802951461271e-19], [-2.2213266844202192e-52, -2.054173240478191e-19, 3.2384272997861845]]) forces = [[-3.42249566e-85 -3.16495500e-52 4.98958729e-33] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 1.71124783e-85 1.58247750e-52 -2.49479364e-33] [ 8.55623916e-86 7.91238751e-53 -1.24739682e-33]] stress = [-1.95559307e-12 -1.95559307e-12 -3.11776542e-12 1.53192896e-28 -2.00714295e-35 9.87018130e-52] energy per atom = -3.0851471589635957 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0