element(s):
['Fe', 'Pd']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9005']
model name:
MEAM_LAMMPS_JeongParkDo_2018_PdFe__MO_924736622203_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Pd']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.9005, 0, 0], [0, 3.9005, 0], [0, 0, 3.9005]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:49:14      -16.327907         0.609393
BFGS:    1 16:49:14      -16.342674         0.520984
BFGS:    2 16:49:14      -16.379777         0.042624
BFGS:    3 16:49:14      -16.379998         0.003495
BFGS:    4 16:49:14      -16.380000         0.000021
BFGS:    5 16:49:14      -16.380000         0.000000
BFGS:    6 16:49:14      -16.380000         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.939503298271803e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Pd', 'Pd', 'Pd']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 2.5033789e-35]]
cellpar =  Cell([[3.846660890734128, -3.203680777486609e-33, 4.773745519923213e-34], [-3.330670781094163e-33, 3.846660890734128, -9.002668393181187e-19], [-3.115930582564169e-33, -9.002668393181246e-19, 3.846660890734128]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.93950330e-15 1.93950330e-15 1.93950330e-15 6.07895306e-32
 1.38835780e-34 9.03486781e-52]
energy per atom =  -4.095000000339809
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0