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_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_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 13:54:47       -7.672816         2.077954
BFGS:    1 13:54:47       -7.776809         1.754114
BFGS:    2 13:54:47       -7.912172         1.133850
BFGS:    3 13:54:47       -7.986661         0.460966
BFGS:    4 13:54:47       -8.006759         0.110175
BFGS:    5 13:54:47       -8.008967         0.039317
BFGS:    6 13:54:47       -8.009209         0.016345
BFGS:    7 13:54:47       -8.009225         0.017505
BFGS:    8 13:54:47       -8.009242         0.021011
BFGS:    9 13:54:47       -8.009294         0.027204
BFGS:   10 13:54:47       -8.009414         0.033905
BFGS:   11 13:54:47       -8.009631         0.041660
BFGS:   12 13:54:47       -8.009765         0.026959
BFGS:   13 13:54:47       -8.009854         0.000774
BFGS:   14 13:54:47       -8.009854         0.000121
BFGS:   15 13:54:47       -8.009854         0.000004
BFGS:   16 13:54:47       -8.009854         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.7031508445958836e-32 eV/Angstrom
Maximum stress component: 6.355644115496653e-11 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([[2.6206364947027962, -8.576936612382734e-19, 4.340223061730158e-38], [-1.3103182473513981, 2.269537778497226, -6.393950215889728e-37], [-8.405718657419497e-37, 3.832600851652602e-37, 4.1452803656278805]])
forces =  [[-4.03772984e-33  3.49677661e-33 -1.70315084e-32]
 [-1.34590995e-33  1.16559220e-33  1.70315084e-32]]
stress =  [-4.60604808e-11 -4.60604808e-11  6.35564412e-11  1.53536071e-35
  2.65932276e-35 -1.78352821e-26]
energy per atom =  -4.0049270295361605
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0