element(s):
['Fe', 'Pt']
AFLOW prototype label:
AB_tP2_123_a_d
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['2.8506', '1.2618747']
Parameter values for parameter set 1:
['2.6559', '1.4092398']
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.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.8506, 0, 0], [0, 2.8506, 0], [0, 0, 3.5971]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:33:11      -11.086737        1.7650
BFGS:    1 16:33:11      -11.179669        1.2640
BFGS:    2 16:33:11      -11.254815        0.3004
BFGS:    3 16:33:11      -11.256028        0.2459
BFGS:    4 16:33:11      -11.262468        0.1831
BFGS:    5 16:33:11      -11.267118        0.1459
BFGS:    6 16:33:11      -11.268523        0.0381
BFGS:    7 16:33:11      -11.268593        0.0116
BFGS:    8 16:33:12      -11.268600        0.0002
BFGS:    9 16:33:12      -11.268600        0.0000
BFGS:   10 16:33:12      -11.268600        0.0000
BFGS:   11 16:33:12      -11.268600        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.077524667903651e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Pt']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.6949863820196693, -9.977369451718747e-36, -1.6817594198813045e-34], [5.186241333217052e-35, 2.6949863820196693, -2.2126768331678736e-17], [-2.4112343908888222e-33, -2.9011047665694987e-17, 3.672670582167173]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.50172092e-11 -3.50172092e-11 -4.07752467e-11 -8.14828544e-28
 -6.22661355e-34 -4.40506468e-50]
energy per atom =  -5.634299940064673
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.6559, 0, 0], [0, 2.6559, 0], [0, 0, 3.7428]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:33:12      -11.260152        0.3568
BFGS:    1 16:33:12      -11.263166        0.2262
BFGS:    2 16:33:12      -11.265414        0.1488
BFGS:    3 16:33:12      -11.265822        0.1576
BFGS:    4 16:33:12      -11.267566        0.1352
BFGS:    5 16:33:12      -11.268370        0.0688
BFGS:    6 16:33:12      -11.268584        0.0182
BFGS:    7 16:33:12      -11.268599        0.0032
BFGS:    8 16:33:12      -11.268600        0.0003
BFGS:    9 16:33:12      -11.268600        0.0000
BFGS:   10 16:33:12      -11.268600        0.0000
BFGS:   11 16:33:12      -11.268600        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.089656232253127e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Pt']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.6949863813268027, -1.2880690613661756e-35, 9.5498528852054e-33], [9.145580044436706e-36, 2.694986381326804, 1.819028300536391e-18], [1.3216583435997877e-32, 2.5418663897769028e-18, 3.6726705835728954]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.08965623e-10 -4.08965623e-10 -9.58933213e-11  6.33370165e-26
  3.11330678e-34 -1.66390573e-49]
energy per atom =  -5.634299940064675
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0