element(s):
['Ni']
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:
['3.5048']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:23:35      -18.012280         8.759945
BFGS:    1 15:23:35      -19.216277         7.319858
BFGS:    2 15:23:35      -20.215813         6.031334
BFGS:    3 15:23:35      -21.032548         4.880265
BFGS:    4 15:23:35      -21.686119         3.853774
BFGS:    5 15:23:35      -22.194320         2.940118
BFGS:    6 15:23:35      -22.573259         2.128582
BFGS:    7 15:23:35      -22.837511         1.409404
BFGS:    8 15:23:35      -23.000252         0.773686
BFGS:    9 15:23:35      -23.073384         0.213329
BFGS:   10 15:23:35      -23.079950         0.018246
BFGS:   11 15:23:35      -23.080000         0.000490
BFGS:   12 15:23:35      -23.080000         0.000001
BFGS:   13 15:23:35      -23.080000         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.608086622907087e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 1.5732426e-33]]
cellpar =  Cell([[3.9173715594656784, 1.8936658582179991e-32, -4.630424343042731e-33], [1.902160506451309e-32, 3.9173715594656784, -4.593262972019742e-17], [-7.662000658123893e-34, -4.5932629720197424e-17, 3.9173715594656784]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.60808662e-12 -5.60808662e-12 -5.60808662e-12  1.87492263e-28
 -1.50602506e-34  7.76090322e-51]
energy per atom =  -5.770000000380063
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0