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 15:56:22      -11.086737         1.764987
BFGS:    1 15:56:22      -11.179669         1.264046
BFGS:    2 15:56:22      -11.254815         0.300438
BFGS:    3 15:56:22      -11.256028         0.245950
BFGS:    4 15:56:22      -11.262468         0.183112
BFGS:    5 15:56:22      -11.267118         0.145908
BFGS:    6 15:56:22      -11.268523         0.038094
BFGS:    7 15:56:22      -11.268593         0.011634
BFGS:    8 15:56:22      -11.268600         0.000238
BFGS:    9 15:56:22      -11.268600         0.000008
BFGS:   10 15:56:22      -11.268600         0.000000
BFGS:   11 15:56:22      -11.268600         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.077522586841234e-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, 6.099923048346206e-35, 2.168153358469725e-36], [3.74836845480545e-36, 2.69498638201967, -2.1219357531104858e-17], [1.8437473805122578e-32, -2.6527172750388122e-17, 3.6726705821671723]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.50169303e-11 -3.50169303e-11 -4.07752259e-11 -1.29415792e-26
 -3.89163349e-35 -8.64116221e-51]
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 15:56:24      -11.260152         0.356755
BFGS:    1 15:56:24      -11.263166         0.226237
BFGS:    2 15:56:24      -11.265414         0.148813
BFGS:    3 15:56:24      -11.265822         0.157580
BFGS:    4 15:56:24      -11.267566         0.135178
BFGS:    5 15:56:24      -11.268370         0.068848
BFGS:    6 15:56:24      -11.268584         0.018229
BFGS:    7 15:56:24      -11.268599         0.003239
BFGS:    8 15:56:24      -11.268600         0.000262
BFGS:    9 15:56:24      -11.268600         0.000024
BFGS:   10 15:56:24      -11.268600         0.000001
BFGS:   11 15:56:24      -11.268600         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.0896636512406745e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Pt']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.694986381326803, -2.0666858507247708e-35, -2.0411793360819617e-32], [8.206559418462542e-36, 2.694986381326803, 9.758326200986312e-18], [-7.099199939080947e-33, 1.358093876143473e-17, 3.672670583572894]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.08966365e-10 -4.08966365e-10 -9.58939664e-11  1.51703052e-25
  1.94581669e-35 -8.04828710e-51]
energy per atom =  -5.6342999400646745
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0