element(s):
['Fe', 'Pd']
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:
1
Parameter values for parameter set 0:
['2.8626', '1.275379']
model name:
MEAM_LAMMPS_JeongParkDo_2018_PdFe__MO_924736622203_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Pd']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.8626, 0, 0], [0, 2.8626, 0], [0, 0, 3.6509]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:08:17       -8.169186         1.330970
BFGS:    1 12:08:17       -8.221555         1.086906
BFGS:    2 12:08:17       -8.298022         0.315939
BFGS:    3 12:08:17       -8.303397         0.378406
BFGS:    4 12:08:17       -8.305555         0.366738
BFGS:    5 12:08:17       -8.321678         0.247793
BFGS:    6 12:08:18       -8.331156         0.132466
BFGS:    7 12:08:18       -8.333661         0.017631
BFGS:    8 12:08:18       -8.333684         0.002980
BFGS:    9 12:08:18       -8.333684         0.000009
BFGS:   10 12:08:18       -8.333684         0.000000
BFGS:   11 12:08:18       -8.333684         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.267334303872027e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Pd']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.661690315405919, 1.285908481497586e-34, 1.7760833759679744e-35], [1.2855251731640807e-35, 2.6616903154059193, -1.2773220809592287e-17], [-2.1577041774379787e-33, -1.615420392723668e-17, 3.8533515509889766]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.26733430e-11 -2.26733430e-11 -2.25435073e-11  7.08651654e-27
  1.50222268e-34 -4.08229356e-50]
energy per atom =  -4.166842156724284
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0