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_ZhouFosterSills_2018_FeNiCr__MO_036303866285_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 15:44:07       -8.017176         4.322593
BFGS:    1 15:44:07       -8.362190         2.358609
BFGS:    2 15:44:07       -8.527036         0.738430
BFGS:    3 15:44:07       -8.553948         0.185230
BFGS:    4 15:44:07       -8.556083         0.051226
BFGS:    5 15:44:07       -8.556196         0.036415
BFGS:    6 15:44:07       -8.556236         0.036849
BFGS:    7 15:44:07       -8.556297         0.021944
BFGS:    8 15:44:07       -8.556314         0.006622
BFGS:    9 15:44:07       -8.556316         0.000970
BFGS:   10 15:44:07       -8.556316         0.000073
BFGS:   11 15:44:07       -8.556316         0.000005
BFGS:   12 15:44:07       -8.556316         0.000000
BFGS:   13 15:44:07       -8.556316         0.000000
Minimization converged after 13 steps.
Maximum force component: 4.4544924439498197e-32 eV/Angstrom
Maximum stress component: 8.700277312431518e-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([[2.5698941247875307, -8.761426500461308e-18, 2.489448037396883e-36], [-1.2849470623937653, 2.2255935971023777, 2.7769856027896195e-37], [-1.1947868496209152e-35, 5.610605054338543e-35, 4.093078792782098]])
forces =  [[ 4.45449244e-32 -2.22889542e-32  3.36340609e-32]
 [-1.84778946e-32  1.37162795e-32 -3.36340609e-32]]
stress =  [-8.70027731e-11 -8.70027731e-11 -4.00099807e-11 -3.60822178e-33
 -1.63919297e-45 -8.42837587e-27]
energy per atom =  -4.27815803082387
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0