element(s): ['P'] AFLOW prototype label: A_cP1_221_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.442'] model name: EAM_Dynamo_AcklandMendelevSrolovitz_2004_FeP__MO_884343146310_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['P'] representative atom coordinates = [[0 0 0]] spacegroup = 221 cell = [[2.442, 0, 0], [0, 2.442, 0], [0, 0, 2.442]] ========================================= Step Time Energy fmax BFGS: 0 14:16:38 1.892508 10.9161 BFGS: 1 14:16:38 0.551036 7.1978 BFGS: 2 14:16:38 -0.322700 4.6092 BFGS: 3 14:16:38 -0.871331 2.8120 BFGS: 4 14:16:38 -1.191131 1.5135 BFGS: 5 14:16:38 -1.339814 0.5223 BFGS: 6 14:16:38 -1.365118 0.1323 BFGS: 7 14:16:38 -1.367119 0.0184 BFGS: 8 14:16:38 -1.367160 0.0008 BFGS: 9 14:16:39 -1.367160 0.0000 BFGS: 10 14:16:39 -1.367160 0.0000 Minimization converged after 10 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.214220628692959e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['P'] basis = [[0. 0. 0.]] cellpar = Cell([[3.1423419333079528, -2.3981499814736722e-32, 1.2523895365940337e-33], [-1.8502116624320053e-32, 3.1423419333079528, -1.0276557515340471e-16], [-2.2578926608018204e-33, -1.0276557515340474e-16, 3.1423419333079528]]) forces = [[0. 0. 0.]] stress = [-1.21422063e-10 -1.21422063e-10 -1.21422063e-10 5.21078423e-28 -6.18728380e-36 2.53601042e-52] energy per atom = -1.3671600094845942 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0