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_AcklandBaconCalder_1997_Fe__MO_142799717516_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 10:53:18       -7.937342         3.291247
BFGS:    1 10:53:18       -8.200597         2.177652
BFGS:    2 10:53:18       -8.386438         1.352615
BFGS:    3 10:53:18       -8.492003         0.686665
BFGS:    4 10:53:18       -8.522234         0.105815
BFGS:    5 10:53:18       -8.522493         0.087456
BFGS:    6 10:53:18       -8.523620         0.026388
BFGS:    7 10:53:18       -8.523675         0.006140
BFGS:    8 10:53:18       -8.523679         0.000571
BFGS:    9 10:53:19       -8.523679         0.000025
BFGS:   10 10:53:19       -8.523679         0.000000
BFGS:   11 10:53:19       -8.523679         0.000000
Minimization converged after 11 steps.
Maximum force component: 6.983637012724179e-32 eV/Angstrom
Maximum stress component: 4.475245607004502e-10 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([[2.6021845598979074, -4.7538354244978527e-17, 4.874553605737156e-38], [-1.3010922799489537, 2.253557934207218, 6.277526467312771e-37], [9.709831716676782e-37, 3.4236207732582574e-35, 4.249349592458825]])
forces =  [[ 1.06914670e-32 -2.77772461e-32 -6.98363701e-32]
 [-4.27658681e-32  2.77772461e-32  6.98363701e-32]]
stress =  [-4.47524561e-10 -4.47524561e-10 -3.73164045e-10  4.29050108e-34
 -4.08054031e-45 -2.13922881e-25]
energy per atom =  -4.261839362652911
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0