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_MendelevHanSrolovitz_2003Potential2_Fe__MO_769582363439_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 14:56:25       -7.672816         2.077954
BFGS:    1 14:56:25       -7.776809         1.754114
BFGS:    2 14:56:25       -7.912172         1.133850
BFGS:    3 14:56:25       -7.986661         0.460966
BFGS:    4 14:56:25       -8.006759         0.110175
BFGS:    5 14:56:25       -8.008967         0.039317
BFGS:    6 14:56:25       -8.009209         0.016345
BFGS:    7 14:56:25       -8.009225         0.017505
BFGS:    8 14:56:25       -8.009242         0.021011
BFGS:    9 14:56:25       -8.009294         0.027204
BFGS:   10 14:56:25       -8.009414         0.033905
BFGS:   11 14:56:25       -8.009631         0.041660
BFGS:   12 14:56:25       -8.009765         0.026959
BFGS:   13 14:56:25       -8.009854         0.000773
BFGS:   14 14:56:25       -8.009854         0.000120
BFGS:   15 14:56:25       -8.009854         0.000004
BFGS:   16 14:56:25       -8.009854         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.7496829306997097e-32 eV/Angstrom
Maximum stress component: 6.175860665228826e-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([[2.6206364955300328, 2.0569985615768798e-18, -4.637951498215717e-37], [-1.3103182477650164, 2.2695377792136333, 1.1235610149627854e-36], [3.155537665785615e-36, -6.119202189443278e-36, 4.145280365545495]])
forces =  [[-1.74968293e-32  1.16559221e-32  1.06446928e-33]
 [ 1.74968293e-32 -1.16559221e-32 -1.06446928e-33]]
stress =  [-4.42358624e-11 -4.42358624e-11  6.17586067e-11  1.31017447e-33
 -2.91965598e-46 -2.44294129e-26]
energy per atom =  -4.004927029535938
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0