element(s): ['Co'] AFLOW prototype label: A_oC4_63_c Parameter names: ['a', 'b/a', 'c/a', 'y1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.4688', '2.0780541', '1.6128483', '0.3625698'] model name: MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_849011491644_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co'] representative atom coordinates = [[0. 0.3625698 0.25 ]] spacegroup = 63 cell = [[2.4688, 0, 0], [0, 5.1303, 0], [0, 0, 3.9818]] ========================================= Step Time Energy fmax BFGS: 0 22:59:10 -16.703944 2.297934 BFGS: 1 22:59:11 -16.805760 2.194685 BFGS: 2 22:59:11 -16.945032 2.026620 BFGS: 3 22:59:11 -17.066508 1.844665 BFGS: 4 22:59:11 -17.171115 1.649230 BFGS: 5 22:59:11 -17.260034 1.440838 BFGS: 6 22:59:11 -17.334673 1.220195 BFGS: 7 22:59:11 -17.396642 0.988291 BFGS: 8 22:59:11 -17.447750 0.746595 BFGS: 9 22:59:11 -17.490018 0.695779 BFGS: 10 22:59:11 -17.518808 0.881943 BFGS: 11 22:59:11 -17.536716 0.795580 BFGS: 12 22:59:12 -17.588904 0.439526 BFGS: 13 22:59:12 -17.620652 0.288694 BFGS: 14 22:59:12 -17.631252 0.196462 BFGS: 15 22:59:12 -17.632721 0.122784 BFGS: 16 22:59:12 -17.634288 0.066989 BFGS: 17 22:59:12 -17.634690 0.079946 BFGS: 18 22:59:12 -17.635609 0.088627 BFGS: 19 22:59:12 -17.636364 0.067351 BFGS: 20 22:59:12 -17.636761 0.027713 BFGS: 21 22:59:12 -17.636826 0.008932 BFGS: 22 22:59:13 -17.636833 0.009831 BFGS: 23 22:59:13 -17.636837 0.010541 BFGS: 24 22:59:13 -17.636846 0.009087 BFGS: 25 22:59:13 -17.636853 0.004900 BFGS: 26 22:59:13 -17.636856 0.001001 BFGS: 27 22:59:13 -17.636856 0.000145 BFGS: 28 22:59:13 -17.636856 0.000019 BFGS: 29 22:59:13 -17.636856 0.000001 BFGS: 30 22:59:13 -17.636856 0.000000 BFGS: 31 22:59:13 -17.636856 0.000000 Minimization converged after 31 steps. Maximum force component: 1.8844649885690906e-10 eV/Angstrom Maximum stress component: 3.1608130956147596e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[1.12259711e-36 3.33333333e-01 2.50000000e-01] [1.16973554e-35 6.66666667e-01 7.50000000e-01] [5.00000000e-01 8.33333333e-01 2.50000000e-01] [5.00000000e-01 1.66666667e-01 7.50000000e-01]] cellpar = Cell([[2.5023088971416727, -2.4199453710247844e-35, 0.0], [3.007982346661843e-35, 4.334126146004106, 0.0], [0.0, 0.0, 4.075717412992298]]) forces = [[ 1.30786166e-45 1.88446499e-10 -1.00474191e-31] [-1.10843248e-32 -1.88446499e-10 1.00474191e-31] [ 1.30786166e-45 1.88446499e-10 -2.00948383e-31] [-1.15662519e-32 -1.88446499e-10 2.00948383e-31]] stress = [ 4.54129194e-12 -7.95042177e-12 3.16081310e-11 0.00000000e+00 0.00000000e+00 -2.84130595e-34] energy per atom = -4.40921399419352 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A_oC4_63_c, while relaxed is A_hP2_194_c. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.