element(s): ['Si'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.868'] model name: ThreeBodyCluster_Gong_Gong_1993_Si__MO_407755720412_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]] ========================================= Step Time Energy fmax BFGS: 0 15:31:42 -25.672971 1.832006 BFGS: 1 15:31:42 -25.770988 0.670009 BFGS: 2 15:31:42 -25.786442 0.014503 BFGS: 3 15:31:42 -25.786449 0.000124 BFGS: 4 15:31:42 -25.786449 0.000000 BFGS: 5 15:31:42 -25.786449 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.8457346684195926e-17 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [2.18842182e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.908226005296242, 5.273833456214994e-34, 7.120376039050326e-34], [-5.257301544682924e-34, 3.908226005296242, 4.151817677027536e-20], [1.1779699028440432e-33, 4.151817677027592e-20, 3.908226005296242]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-4.84573467e-17 -4.84573467e-17 -4.84573467e-17 -1.64104927e-32 3.36240388e-35 1.12123756e-50] energy per atom = -6.446612252566239 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0