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_2003_Fe__MO_807997826449_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        0.0416
BFGS:   12 14:53:39       -8.009765        0.0269
BFGS:   13 14:53:39       -8.009854        0.0009
BFGS:   14 14:53:39       -8.009854        0.0001
BFGS:   15 14:53:39       -8.009854        0.0000
BFGS:   16 14:53:39       -8.009854        0.0000
BFGS:   17 14:53:39       -8.009854        0.0000
Minimization converged after 17 steps.
Maximum force component: 9.324752555323177e-33 eV/Angstrom
Maximum stress component: 3.836793133839906e-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([[2.620640687258702, 5.8764890420213126e-18, 1.5368073103393273e-36], [-1.310320343629351, 2.269541409357147, -2.641979116731526e-35], [8.003590310172306e-36, 3.4145782168523827e-35, 4.145274380909308]])
forces =  [[-5.38364840e-33 -9.32475256e-33  1.02235485e-67]
 [ 5.38364840e-33  9.32475256e-33 -1.02235485e-67]]
stress =  [ 2.69929515e-12  2.69929515e-12  3.83679313e-11  1.91067081e-34
 -4.72768417e-35  3.45565786e-28]
energy per atom =  -4.004927028252888
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0