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_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_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 14:53:42       -7.448087        2.2481
BFGS:    1 14:53:42       -7.564614        1.7990
BFGS:    2 14:53:42       -7.698112        1.0936
BFGS:    3 14:53:42       -7.771013        0.4407
BFGS:    4 14:53:42       -7.791347        0.1028
BFGS:    5 14:53:42       -7.793120        0.0356
BFGS:    6 14:53:42       -7.793238        0.0209
BFGS:    7 14:53:42       -7.793257        0.0243
BFGS:    8 14:53:42       -7.793324        0.0306
BFGS:    9 14:53:42       -7.793429        0.0319
BFGS:   10 14:53:42       -7.793569        0.0217
BFGS:   11 14:53:42       -7.793617        0.0063
BFGS:   12 14:53:42       -7.793624        0.0017
BFGS:   13 14:53:42       -7.793625        0.0000
BFGS:   14 14:53:42       -7.793625        0.0000
BFGS:   15 14:53:42       -7.793625        0.0000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.636483126027192e-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([[2.605448188818889, 1.8149160174795026e-17, 6.621217894663546e-38], [-1.3027240944094445, 2.256384319761313, 8.026423712173198e-36], [-2.058376661106082e-36, -6.931552462279254e-36, 4.167548283604877]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.37940379e-10 -1.37940379e-10 -2.63648313e-10 -1.39952087e-34
  1.35982802e-34 -4.87531270e-26]
energy per atom =  -3.8968123155491723
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0