element(s):
['Fe', '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:
['3.8226']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Pt']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.8226, 0, 0], [0, 3.8226, 0], [0, 0, 3.8226]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:13:36      -49.760259         9.274247
BFGS:    1 16:13:36      -51.017787         7.389777
BFGS:    2 16:13:37      -51.946583         4.879788
BFGS:    3 16:13:37      -52.433214         1.468809
BFGS:    4 16:13:37      -52.470720         0.343325
BFGS:    5 16:13:38      -52.472710         0.016682
BFGS:    6 16:13:38      -52.472715         0.000177
BFGS:    7 16:13:38      -52.472715         0.000000
BFGS:    8 16:13:39      -52.472715         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.204280711853667e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Pt']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.15519971e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.05173324e-34]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.6623924673049992, 5.592203253539521e-33, -3.545131951919129e-33], [2.2538736793574044e-33, 3.6623924673049992, 4.3060219093720686e-18], [1.1527123693725073e-33, 4.306021909372062e-18, 3.6623924673049992]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.20428071e-14  3.20428071e-14  3.20428071e-14 -2.52285811e-30
 -1.22526332e-33  1.18984507e-49]
energy per atom =  -13.118178730526804
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0