element(s): ['C'] AFLOW prototype label: A_hP4_194_f Parameter names: ['a', 'c/a', 'z1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.5124', '1.6642254', '0.062750617'] model name: MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['C'] representative atom coordinates = [[0.33333333 0.66666667 0.06275062]] spacegroup = 194 cell = [[2.5124, 0, 0], [-1.2562, 2.175802224468, 0], [0, 0, 4.1812]] ========================================= Step Time Energy fmax BFGS: 0 14:32:06 -29.434120 2.294066 BFGS: 1 14:32:06 -28.592221 16.088152 BFGS: 2 14:32:06 -29.464928 0.647308 BFGS: 3 14:32:06 -29.469441 0.466648 BFGS: 4 14:32:06 -29.477698 0.478843 BFGS: 5 14:32:06 -29.479439 0.308713 BFGS: 6 14:32:06 -29.479985 0.031693 BFGS: 7 14:32:06 -29.479993 0.008437 BFGS: 8 14:32:06 -29.479996 0.007797 BFGS: 9 14:32:06 -29.479999 0.009168 BFGS: 10 14:32:06 -29.480000 0.003696 BFGS: 11 14:32:06 -29.480000 0.000433 BFGS: 12 14:32:06 -29.480000 0.000011 BFGS: 13 14:32:06 -29.480000 0.000001 BFGS: 14 14:32:06 -29.480000 0.000000 BFGS: 15 14:32:06 -29.480000 0.000000 Minimization converged after 15 steps. Maximum force component: 1.1330796301223247e-09 eV/Angstrom Maximum stress component: 8.830925555199272e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C'] basis = [[0.33333333 0.66666667 0.0625 ] [0.66666666 0.33333334 0.5625 ] [0.66666666 0.33333334 0.9375 ] [0.33333333 0.66666667 0.4375 ]] cellpar = Cell([[2.522249887091714, 1.6156901209731087e-18, 2.143982448885774e-38], [-1.261124943545857, 2.184332476913857, -6.4189320731728e-38], [-8.61487581738678e-38, -1.023978498898336e-36, 4.118816818090155]]) forces = [[ 3.31617388e-31 -5.74378165e-31 -1.13307963e-09] [-3.15036519e-30 -2.87189083e-31 -1.13307963e-09] [-9.94852165e-31 1.72313450e-30 1.13307963e-09] [ 4.97426082e-31 2.87189083e-31 1.13307963e-09]] stress = [ 5.18046057e-11 5.18046057e-11 -8.83092556e-11 -1.46136251e-32 2.66706740e-47 4.65575315e-28] energy per atom = -7.3699999999959624 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0