Model name: model_name=SNAP_ZuoChenLi_2019quadratic_Ni__MO_263593395744_000 a1: a1=[1, 0, 0] a2: a2=[0, 1, 0] a3: a3=[0, 0, 1] Species: species=Ni Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=2.5751821175217633 cohesive_energy=206.50198503782107 mass=58.6934 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=90.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0226993107856932 eV ======================================== theta = 0.0 ======================================== Energy: 1.5918137719993792 Energy: 1.5878206144086076 Energy: -14828126.923366413 Energy: 1.5878206144086076 Energy: 1.5878206144086076 Energy: 1510.7902625613003 Energy: 1.5878206144086076 Energy: 1510.7902625613003 Energy: 1510.7902625613003 Energy: 1.5878206144086076 Energy: 1.5918137721224297 Energy: 1.5878206144086076 Energy: 1.5878206144086076 Energy: 1510.7902625614213 Energy: 1.5878206144086076 Energy: 1510.7902625613003 minimum gb energy = -14828126.923366413 eV minimum distance = 1.63566148143009 Angstroms sigma value = 1 ======================================== theta = 14.250032697803595 ========================================