element(s): ['Ge'] AFLOW prototype label: A_cF8_227_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.7441'] model name: SNAP_ZuoChenLi_2019_Ge__MO_183216355174_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ge'] representative atom coordinates = [[0 0 0]] spacegroup = 227 cell = [[5.7441, 0, 0], [0, 5.7441, 0], [0, 0, 5.7441]] ========================================= Step Time Energy fmax BFGS: 0 15:41:40 -35.933379 0.142721 BFGS: 1 15:41:40 -35.934229 0.135312 BFGS: 2 15:41:40 -35.941960 0.004511 BFGS: 3 15:41:40 -35.941969 0.000149 BFGS: 4 15:41:40 -35.941969 0.000000 BFGS: 5 15:41:40 -35.941969 0.000000 Minimization converged after 5 steps. Maximum force component: 3.1132866415535e-32 eV/Angstrom Maximum stress component: 2.744961600798683e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge'] basis = [[6.09877816e-33 0.00000000e+00 6.24469660e-33] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 2.33678280e-32 5.00000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01]] cellpar = Cell([[5.773253017377386, 9.746245420918208e-40, 7.53082127048701e-35], [2.689096999669399e-38, 5.773253017377386, 3.8035326167653383e-20], [1.7134431213368943e-33, 3.803532616765334e-20, 5.773253017377386]]) forces = [[-2.07552443e-32 7.41258724e-33 -1.48251745e-33] [-2.07552443e-32 -1.18601396e-32 -1.85314681e-33] [-1.33426570e-32 -4.44755235e-33 -1.63076919e-32] [ 1.48251745e-32 -2.25864569e-53 -3.42832160e-33] [ 1.18601396e-32 8.89510469e-33 6.67132852e-33] [ 2.96503490e-33 -1.77902094e-32 -1.77902094e-32] [ 3.11328664e-32 -6.67132852e-33 1.18601396e-32] [ 1.18601396e-32 -8.89510469e-33 -1.18601396e-32]] stress = [-2.74496160e-13 -2.74496160e-13 -2.74496160e-13 -1.06555405e-33 -3.08175445e-35 -3.42155712e-51] energy per atom = 0.19975324627949576 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0