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_Mendelev_2003_Fe__MO_546673549085_000
==== 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 14:53:39       -7.672816        2.0780
BFGS:    1 14:53:39       -7.776809        1.7541
BFGS:    2 14:53:39       -7.912172        1.1338
BFGS:    3 14:53:39       -7.986661        0.4610
BFGS:    4 14:53:39       -8.006759        0.1102
BFGS:    5 14:53:39       -8.008967        0.0393
BFGS:    6 14:53:39       -8.009209        0.0163
BFGS:    7 14:53:39       -8.009225        0.0175
BFGS:    8 14:53:39       -8.009242        0.0210
BFGS:    9 14:53:39       -8.009294        0.0272
BFGS:   10 14:53:39       -8.009414        0.0339
BFGS:   11 14:53:39       -8.009631        0.0417
BFGS:   12 14:53:39       -8.009765        0.0270
BFGS:   13 14:53:39       -8.009854        0.0008
BFGS:   14 14:53:39       -8.009854        0.0001
BFGS:   15 14:53:40       -8.009854        0.0000
BFGS:   16 14:53:40       -8.009854        0.0000
Minimization converged after 16 steps.
Maximum force component: 6.993553230249024e-33 eV/Angstrom
Maximum stress component: 6.17585931429719e-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([[2.620636495530032, 2.6588646096623776e-18, -2.469163126181681e-37], [-1.310318247765016, 2.2695377792136315, -2.802764620228768e-36], [-1.5114692949911747e-36, -2.000454048855685e-36, 4.145280365545497]])
forces =  [[ 4.03772984e-33 -2.33118441e-33  2.62527189e-69]
 [ 1.34590995e-33 -6.99355323e-33  8.89030851e-69]]
stress =  [-4.42359484e-11 -4.42359484e-11  6.17585931e-11  1.31017447e-33
 -1.81452309e-47 -5.00153468e-27]
energy per atom =  -4.004927029535935
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0