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 15:48:49 -16.703944 2.297934 BFGS: 1 15:48:49 -16.805760 2.194685 BFGS: 2 15:48:49 -16.945032 2.026620 BFGS: 3 15:48:49 -17.066508 1.844665 BFGS: 4 15:48:49 -17.171115 1.649230 BFGS: 5 15:48:49 -17.260034 1.440838 BFGS: 6 15:48:49 -17.334673 1.220195 BFGS: 7 15:48:49 -17.396642 0.988291 BFGS: 8 15:48:49 -17.447750 0.746595 BFGS: 9 15:48:49 -17.490018 0.695779 BFGS: 10 15:48:49 -17.518808 0.881943 BFGS: 11 15:48:49 -17.536716 0.795580 BFGS: 12 15:48:49 -17.588904 0.439526 BFGS: 13 15:48:49 -17.620652 0.288694 BFGS: 14 15:48:49 -17.631252 0.196462 BFGS: 15 15:48:49 -17.632721 0.122784 BFGS: 16 15:48:49 -17.634288 0.066989 BFGS: 17 15:48:49 -17.634690 0.079946 BFGS: 18 15:48:49 -17.635609 0.088627 BFGS: 19 15:48:49 -17.636364 0.067351 BFGS: 20 15:48:49 -17.636761 0.027713 BFGS: 21 15:48:49 -17.636826 0.008932 BFGS: 22 15:48:49 -17.636833 0.009831 BFGS: 23 15:48:49 -17.636837 0.010541 BFGS: 24 15:48:49 -17.636846 0.009087 BFGS: 25 15:48:49 -17.636853 0.004900 BFGS: 26 15:48:49 -17.636856 0.001001 BFGS: 27 15:48:49 -17.636856 0.000145 BFGS: 28 15:48:49 -17.636856 0.000019 BFGS: 29 15:48:49 -17.636856 0.000001 BFGS: 30 15:48:49 -17.636856 0.000000 BFGS: 31 15:48:49 -17.636856 0.000000 Minimization converged after 31 steps. Maximum force component: 1.8844775783247175e-10 eV/Angstrom Maximum stress component: 3.1607665246204775e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[0. 0.33333333 0.25 ] [0. 0.66666667 0.75 ] [0.5 0.83333333 0.25 ] [0.5 0.16666667 0.75 ]] cellpar = Cell([[2.502308897141672, -1.790736320190336e-35, 0.0], [-2.017281026170638e-36, 4.334126146004106, 0.0], [0.0, 0.0, 4.075717412992297]]) forces = [[ 4.81927164e-34 1.88447758e-10 0.00000000e+00] [ 8.77113571e-47 -1.88447758e-10 0.00000000e+00] [-8.77113571e-47 1.88447758e-10 0.00000000e+00] [ 8.77113571e-47 -1.88447758e-10 0.00000000e+00]] stress = [ 4.54027428e-12 -7.95062930e-12 3.16076652e-11 0.00000000e+00 0.00000000e+00 1.32355308e-47] energy per atom = -4.409213994193519 =============================================== 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.