element(s):
['Ni', 'Pt']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6072']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'Pt']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.6072, 0, 0], [0, 3.6072, 0], [0, 0, 3.6072]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:45:35      -20.771137        4.1187
BFGS:    1 15:45:35      -21.318207        3.1927
BFGS:    2 15:45:35      -21.733881        2.3653
BFGS:    3 15:45:35      -22.032289        1.6279
BFGS:    4 15:45:35      -22.226347        0.9727
BFGS:    5 15:45:35      -22.327835        0.3924
BFGS:    6 15:45:35      -22.349467        0.0391
BFGS:    7 15:45:35      -22.349696        0.0018
BFGS:    8 15:45:35      -22.349697        0.0000
BFGS:    9 15:45:35      -22.349697        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5973217751955732e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Pt']
basis =  [[0.  0.5 0.5]
 [0.5 1.  0.5]
 [0.5 0.5 1. ]
 [0.  1.  1. ]]
cellpar =  Cell([[3.8666831625080835, 1.7095025562463316e-32, -4.9399092752090805e-33], [1.676421769701476e-32, 3.8666831625080835, 5.732973661968418e-18], [-6.481092980743622e-33, 5.732973661968413e-18, 3.8666831625080835]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.59732178e-10 -1.59732178e-10 -1.59732178e-10 -1.78874707e-26
 -2.74803355e-34 -2.33442274e-50]
energy per atom =  -5.587424198671012
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0