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 09:37:03      -20.771137         4.118667
BFGS:    1 09:37:03      -21.318207         3.192739
BFGS:    2 09:37:03      -21.733881         2.365269
BFGS:    3 09:37:04      -22.032289         1.627851
BFGS:    4 09:37:04      -22.226347         0.972664
BFGS:    5 09:37:04      -22.327835         0.392431
BFGS:    6 09:37:04      -22.349467         0.039059
BFGS:    7 09:37:04      -22.349696         0.001829
BFGS:    8 09:37:04      -22.349697         0.000009
BFGS:    9 09:37:04      -22.349697         0.000000
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 =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.00000000e+00]
 [1.08052551e-64 1.00000000e+00 1.00000000e+00]]
cellpar =  Cell([[3.8666831625080835, -1.0238534159652902e-32, -9.247048461133609e-33], [-1.8549635359349913e-33, 3.8666831625080835, 1.1000018427884516e-17], [9.677620183571983e-33, 1.1000018427884502e-17, 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 -2.81743738e-29
 -6.87008387e-34 -8.21288401e-51]
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