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: EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000 ==== 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 15:45:08 -16.969733 1.490469 BFGS: 1 15:45:08 -17.016608 1.344431 BFGS: 2 15:45:08 -17.102147 1.065720 BFGS: 3 15:45:08 -17.162143 0.901963 BFGS: 4 15:45:08 -17.207731 0.838502 BFGS: 5 15:45:08 -17.248327 0.830379 BFGS: 6 15:45:08 -17.287426 0.815442 BFGS: 7 15:45:08 -17.324405 0.956643 BFGS: 8 15:45:08 -17.358479 1.167866 BFGS: 9 15:45:08 -17.390337 1.324476 BFGS: 10 15:45:08 -17.423058 1.394112 BFGS: 11 15:45:08 -17.460159 1.356510 BFGS: 12 15:45:08 -17.504858 1.192568 BFGS: 13 15:45:08 -17.562927 0.850608 BFGS: 14 15:45:08 -17.610751 0.442458 BFGS: 15 15:45:08 -17.629295 0.095571 BFGS: 16 15:45:08 -17.629945 0.073033 BFGS: 17 15:45:08 -17.630474 0.066431 BFGS: 18 15:45:08 -17.631234 0.064098 BFGS: 19 15:45:08 -17.632629 0.102399 BFGS: 20 15:45:08 -17.633884 0.088794 BFGS: 21 15:45:08 -17.634481 0.036832 BFGS: 22 15:45:08 -17.634581 0.004564 BFGS: 23 15:45:08 -17.634583 0.000472 BFGS: 24 15:45:08 -17.634583 0.000469 BFGS: 25 15:45:08 -17.634583 0.000429 BFGS: 26 15:45:08 -17.634583 0.000349 BFGS: 27 15:45:08 -17.634583 0.000177 BFGS: 28 15:45:08 -17.634583 0.000032 BFGS: 29 15:45:08 -17.634583 0.000006 BFGS: 30 15:45:08 -17.634583 0.000001 BFGS: 31 15:45:08 -17.634583 0.000000 BFGS: 32 15:45:08 -17.634583 0.000000 Minimization converged after 32 steps. Maximum force component: 5.887053161580598e-10 eV/Angstrom Maximum stress component: 9.702474555415455e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[1.32783842e-34 3.33333333e-01 2.50000000e-01] [1.23996961e-34 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([[2.5015143283330823, 2.325017451743226e-36, 0.0], [-1.040559467107215e-36, 4.3327499118937896, 0.0], [0.0, 0.0, 4.190100648167338]]) forces = [[ 2.40887068e-34 5.88705316e-10 -2.58234890e-32] [-1.44532241e-33 -5.88705316e-10 1.29117445e-32] [ 2.40887068e-34 5.88705316e-10 -1.29117445e-32] [-1.20443534e-33 -5.88705316e-10 0.00000000e+00]] stress = [ 2.46935876e-11 -3.17779630e-11 -9.70247456e-11 0.00000000e+00 0.00000000e+00 2.88259719e-47] energy per atom = -4.408645715317759 =============================================== 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.