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 14:52:31       -7.672816        2.0780
BFGS:    1 14:52:31       -7.776809        1.7541
BFGS:    2 14:52:31       -7.912172        1.1338
BFGS:    3 14:52:31       -7.986661        0.4610
BFGS:    4 14:52:31       -8.006759        0.1102
BFGS:    5 14:52:31       -8.008967        0.0393
BFGS:    6 14:52:31       -8.009209        0.0163
BFGS:    7 14:52:31       -8.009225        0.0175
BFGS:    8 14:52:31       -8.009242        0.0210
BFGS:    9 14:52:31       -8.009294        0.0272
BFGS:   10 14:52:31       -8.009414        0.0339
BFGS:   11 14:52:31       -8.009631        0.0417
BFGS:   12 14:52:31       -8.009765        0.0270
BFGS:   13 14:52:31       -8.009854        0.0008
BFGS:   14 14:52:31       -8.009854        0.0001
BFGS:   15 14:52:31       -8.009854        0.0000
BFGS:   16 14:52:31       -8.009854        0.0000
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, 2.009789979024994e-36], [-1.3103182473513981, 2.269537778497226, -1.3585830978464298e-36], [-4.0245699520453104e-36, 2.5610214245372347e-36, 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  1.22828857e-34
  2.36384245e-35 -1.89518928e-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