element(s):
['Fe']
AFLOW prototype label:
A_hP2_194_c
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:
['2.4403', '1.5759538']
model name:
MEAM_LAMMPS_JeongParkDo_2018_PdFe__MO_924736622203_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4403, 0, 0], [-1.22015, 2.1133617928552, 0], [0, 0, 3.8458]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:58:12       -8.075626         3.113872
BFGS:    1 14:58:12       -8.339898         1.870067
BFGS:    2 14:58:12       -8.488848         0.765191
BFGS:    3 14:58:12       -8.519318         0.195939
BFGS:    4 14:58:12       -8.520558         0.078941
BFGS:    5 14:58:12       -8.520706         0.055468
BFGS:    6 14:58:12       -8.521060         0.054583
BFGS:    7 14:58:12       -8.521323         0.037820
BFGS:    8 14:58:12       -8.521425         0.012996
BFGS:    9 14:58:12       -8.521437         0.003133
BFGS:   10 14:58:12       -8.521438         0.000164
BFGS:   11 14:58:12       -8.521438         0.000010
BFGS:   12 14:58:12       -8.521438         0.000000
BFGS:   13 14:58:12       -8.521438         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.5795178887347672e-32 eV/Angstrom
Maximum stress component: 2.87564742020772e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.5629143036490922, -3.1503763805224954e-17, -6.239401573211453e-37], [-1.2814571518245461, 2.2195488946826187, -6.298333803372218e-37], [5.7903527598477853e-36, -3.737645001266358e-36, 4.135204075502766]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.57951789e-32  9.11935078e-33 -2.42131940e-71]]
stress =  [-1.14599776e-10 -1.14599776e-10 -2.87564742e-10 -1.79059568e-33
 -1.55070135e-33  4.98041550e-26]
energy per atom =  -4.260718808628202
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0