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 16:48:56      -78.815599        16.784100
BFGS:    1 16:48:56      -81.161496        14.349936
BFGS:    2 16:48:56      -83.072119        10.942445
BFGS:    3 16:48:56      -84.393150         6.406286
BFGS:    4 16:48:56      -84.915444         0.264328
BFGS:    5 16:48:56      -84.916157         0.044084
BFGS:    6 16:48:56      -84.916178         0.000225
BFGS:    7 16:48:56      -84.916178         0.000000
BFGS:    8 16:48:56      -84.916178         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.3166085745259875e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Pt', 'Pt', 'Pt']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.21425146e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.7190576345300594, -2.0346424424991232e-32, 1.9206158477290875e-33], [-6.0763942792409814e-33, 3.7190576345300594, -1.2549988602579126e-17], [-2.452334556102394e-33, -1.2549988602579123e-17, 3.7190576345300594]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.31660857e-14 -5.31660857e-14 -5.31660857e-14  4.62024461e-31
 -1.48526310e-34  1.23063044e-51]
energy per atom =  -21.229044392635732
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0