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_002
==== 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 09:29:24      -20.026918         1.393812
BFGS:    1 09:29:24      -20.105131         1.222924
BFGS:    2 09:29:24      -20.253359         0.740217
BFGS:    3 09:29:24      -20.322982         0.173211
BFGS:    4 09:29:24      -20.326564         0.018381
BFGS:    5 09:29:24      -20.326604         0.000392
BFGS:    6 09:29:24      -20.326604         0.000001
BFGS:    7 09:29:25      -20.326604         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.102152704838362e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Pt']
basis =  [[5.09266037e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.6947807591410395, -8.939657417110256e-33, -8.150267966237754e-34], [2.2678976924475135e-33, 3.6947807591410395, -1.910101182060755e-18], [-7.881832711311553e-33, -1.9101011820607517e-18, 3.6947807591410395]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.10215270e-12 -3.10215270e-12 -3.10215270e-12  4.91253072e-28
 -4.14142671e-61  5.24883904e-61]
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