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:
MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_001
==== 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 15:11:01      -20.026918         1.393812
BFGS:    1 15:11:01      -20.105131         1.222924
BFGS:    2 15:11:01      -20.253359         0.740217
BFGS:    3 15:11:01      -20.322982         0.173211
BFGS:    4 15:11:01      -20.326564         0.018381
BFGS:    5 15:11:01      -20.326604         0.000392
BFGS:    6 15:11:01      -20.326604         0.000001
BFGS:    7 15:11:01      -20.326604         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.1032195155350294e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Pt']
basis =  [[1.8518765e-49 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]
 [0.0000000e+00 0.0000000e+00 0.0000000e+00]]
cellpar =  Cell([[3.6947807591410387, -2.4584005966720786e-33, -2.624446862732787e-32], [-8.927214531551111e-33, 3.6947807591410387, 7.422264489835853e-18], [1.9697655026593558e-33, 7.422264489835833e-18, 3.6947807591410387]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.10321952e-12 -3.10321952e-12 -3.10321952e-12  5.43892975e-28
  3.00969064e-34 -8.00023551e-50]
energy per atom =  -5.081650898209881
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0