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: SNAP_ZuoChenLi_2019_Si__MO_869330304805_000 ==== 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 17:25:47 -20.149501 1.447288 BFGS: 1 17:25:47 -20.219042 1.194803 BFGS: 2 17:25:47 -20.333004 0.630478 BFGS: 3 17:25:47 -20.371246 0.005838 BFGS: 4 17:25:47 -20.371249 0.000655 BFGS: 5 17:25:47 -20.371249 0.000771 BFGS: 6 17:25:47 -20.371249 0.000804 BFGS: 7 17:25:47 -20.371249 0.000720 BFGS: 8 17:25:47 -20.371249 0.000435 BFGS: 9 17:25:47 -20.371249 0.000163 BFGS: 10 17:25:47 -20.371249 0.000031 BFGS: 11 17:25:47 -20.371249 0.000002 BFGS: 12 17:25:47 -20.371249 0.000000 BFGS: 13 17:25:47 -20.371249 0.000000 Minimization converged after 13 steps. Maximum force component: 9.935821063857052e-32 eV/Angstrom Maximum stress component: 3.0464760983107926e-10 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] [1.17945165e-32 5.00000000e-01 2.50000000e-01] [5.00000000e-01 0.00000000e+00 7.50000000e-01]] cellpar = Cell([[4.960551201618188, 3.688544859910443e-36, 1.578045033696162e-40], [2.2359481171544036e-36, 4.960551201618187, -3.145539108593156e-18], [-8.799532162715713e-39, -1.72068464611652e-18, 2.7030774151418075]]) forces = [[-3.82146964e-33 -5.54113098e-32 3.05848842e-33] [ 3.45180246e-69 7.64293928e-33 -2.08237509e-33] [ 3.05717571e-32 -9.93582106e-32 6.30041148e-50] [ 6.11435142e-32 -9.17152714e-32 5.81576444e-50]] stress = [-3.04647610e-10 -3.04647610e-10 -2.40310993e-10 -4.91943293e-28 -7.59451680e-49 8.54367370e-63] energy per atom = -1.9295675299118038 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0