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:
EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005
==== 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 13:56:45       -7.448087         2.248149
BFGS:    1 13:56:45       -7.564614         1.798967
BFGS:    2 13:56:45       -7.698112         1.093649
BFGS:    3 13:56:45       -7.771013         0.440654
BFGS:    4 13:56:45       -7.791347         0.102821
BFGS:    5 13:56:45       -7.793120         0.035636
BFGS:    6 13:56:45       -7.793238         0.020906
BFGS:    7 13:56:45       -7.793257         0.024326
BFGS:    8 13:56:45       -7.793324         0.030590
BFGS:    9 13:56:45       -7.793429         0.031921
BFGS:   10 13:56:45       -7.793569         0.021682
BFGS:   11 13:56:45       -7.793617         0.006310
BFGS:   12 13:56:45       -7.793624         0.001747
BFGS:   13 13:56:45       -7.793625         0.000022
BFGS:   14 13:56:45       -7.793625         0.000000
BFGS:   15 13:56:45       -7.793625         0.000000
Minimization converged after 15 steps.
Maximum force component: 6.849199815743369e-32 eV/Angstrom
Maximum stress component: 2.6364801579487426e-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([[2.60544818881889, 1.2589366113140543e-17, -6.334147380279132e-36], [-1.302724094409445, 2.2563843197613136, 7.347145556713405e-36], [5.7485868147973e-36, -1.7325896140789084e-35, 4.167548283604877]])
forces =  [[-2.40859713e-32  1.39060420e-32  6.84919982e-32]
 [-1.33810952e-32 -4.63534734e-33 -6.84919982e-32]]
stress =  [-1.37940173e-10 -1.37940173e-10 -2.63648016e-10  5.46154485e-34
  1.89193464e-34  2.47851635e-26]
energy per atom =  -3.8968123155491665
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0