element(s):
['Fe', 'Pt']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9167']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.9167, 0, 0], [0, 3.9167, 0], [0, 0, 3.9167]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:00:57      -78.815599       16.7841
BFGS:    1 09:00:57      -81.161496       14.3499
BFGS:    2 09:00:57      -83.072119       10.9424
BFGS:    3 09:00:57      -84.393150        6.4063
BFGS:    4 09:00:57      -84.915444        0.2643
BFGS:    5 09:00:57      -84.916157        0.0441
BFGS:    6 09:00:57      -84.916178        0.0002
BFGS:    7 09:00:57      -84.916178        0.0000
BFGS:    8 09:00:57      -84.916178        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.53014786322835e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Pt', 'Pt', 'Pt']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.19894007e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.14283431e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.7190576345300586, -1.3856018103919753e-32, 4.5122171567208516e-33], [1.656961188071859e-33, 3.7190576345300586, -1.2549955158117358e-17], [-4.077641234900009e-33, -1.2549955158117351e-17, 3.7190576345300586]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.53014786e-14 -6.53014786e-14 -6.53014786e-14  3.65112647e-31
  1.18821048e-33 -7.67101145e-51]
energy per atom =  -21.229044392635718
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0