element(s): ['Si'] 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: ['4.8146', '0.54949529'] model name: MEAM_LAMMPS_HuangDongLiu_2018_Si__MO_050147023220_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si'] representative atom coordinates = [[0 0 0]] spacegroup = 141 cell = [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]] ========================================= Step Time Energy fmax BFGS: 0 17:23:55 -16.404931 2.263066 BFGS: 1 17:23:55 -16.565808 1.776429 BFGS: 2 17:23:55 -16.744405 1.103218 BFGS: 3 17:23:56 -16.845919 0.517527 BFGS: 4 17:23:56 -16.878783 0.064031 BFGS: 5 17:23:56 -16.879321 0.018487 BFGS: 6 17:23:56 -16.879328 0.013302 BFGS: 7 17:23:56 -16.879333 0.008437 BFGS: 8 17:23:56 -16.879340 0.004607 BFGS: 9 17:23:56 -16.879343 0.001649 BFGS: 10 17:23:56 -16.879343 0.000369 BFGS: 11 17:23:56 -16.879343 0.000043 BFGS: 12 17:23:56 -16.879343 0.000001 BFGS: 13 17:23:56 -16.879343 0.000000 BFGS: 14 17:23:56 -16.879343 0.000000 Minimization converged after 14 steps. Maximum force component: 6.206260520601312e-32 eV/Angstrom Maximum stress component: 3.7012391466551e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [2.70936856e-33 5.00000000e-01 2.50000000e-01] [5.00000000e-01 0.00000000e+00 7.50000000e-01]] cellpar = Cell([[5.035116719432331, -4.10319543665546e-36, -6.745142434851437e-40], [2.5085270147283444e-37, 5.035116719432331, -7.312390099433761e-19], [1.9025407856552402e-38, -3.977806782268518e-19, 2.7330091546857513]]) forces = [[-4.16983129e-32 3.10313026e-32 -4.50660834e-51] [ 1.30913308e-32 -6.20626052e-32 9.01321668e-51] [ 6.10928770e-32 1.55156513e-32 -2.25330417e-51] [-2.42432052e-32 4.65469539e-32 -6.75991251e-51]] stress = [-2.04561948e-11 -2.04561948e-11 -3.70123915e-11 2.42236783e-29 1.39955463e-35 -6.06960070e-54] energy per atom = -4.219835761901147 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0