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_MendelevHanSon_2007_VFe__MO_249706810527_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 13:56:45       -7.448087         2.248151
BFGS:    1 13:56:45       -7.564614         1.798968
BFGS:    2 13:56:46       -7.698112         1.093648
BFGS:    3 13:56:46       -7.771013         0.440656
BFGS:    4 13:56:46       -7.791347         0.102815
BFGS:    5 13:56:46       -7.793120         0.035637
BFGS:    6 13:56:46       -7.793238         0.020905
BFGS:    7 13:56:46       -7.793257         0.024331
BFGS:    8 13:56:46       -7.793324         0.030568
BFGS:    9 13:56:46       -7.793429         0.031921
BFGS:   10 13:56:46       -7.793569         0.021708
BFGS:   11 13:56:46       -7.793616         0.006321
BFGS:   12 13:56:46       -7.793624         0.001751
BFGS:   13 13:56:46       -7.793625         0.000029
BFGS:   14 13:56:46       -7.793625         0.000000
BFGS:   15 13:56:46       -7.793625         0.000000
Minimization converged after 15 steps.
Maximum force component: 1.712300430207561e-32 eV/Angstrom
Maximum stress component: 6.441996359254851e-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([[2.6054474497901836, 4.566396713068817e-18, -1.1160527351023423e-36], [-1.3027237248950918, 2.2563836797436805, 5.556304816351317e-36], [7.5417105192953e-36, 3.336560418507783e-35, 4.167549442797447]])
forces =  [[-8.36318210e-34 -3.18680039e-33  1.71230043e-32]
 [ 3.55435239e-33 -1.52097291e-33 -1.71230043e-32]]
stress =  [-2.16893003e-11 -2.16893003e-11 -6.44199636e-11 -4.36923591e-34
 -3.31831508e-46  6.08800811e-27]
energy per atom =  -3.896812314813457
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0