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_AcklandMendelevSrolovitz_2004_FeP__MO_884343146310_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 10:53:49       -7.448087         2.248151
BFGS:    1 10:53:49       -7.564614         1.798968
BFGS:    2 10:53:50       -7.698112         1.093648
BFGS:    3 10:53:50       -7.771013         0.440656
BFGS:    4 10:53:50       -7.791347         0.102815
BFGS:    5 10:53:50       -7.793120         0.035637
BFGS:    6 10:53:50       -7.793238         0.020905
BFGS:    7 10:53:50       -7.793257         0.024331
BFGS:    8 10:53:50       -7.793324         0.030568
BFGS:    9 10:53:50       -7.793429         0.031921
BFGS:   10 10:53:50       -7.793569         0.021708
BFGS:   11 10:53:50       -7.793616         0.006321
BFGS:   12 10:53:51       -7.793624         0.001751
BFGS:   13 10:53:51       -7.793625         0.000029
BFGS:   14 10:53:51       -7.793625         0.000000
BFGS:   15 10:53:51       -7.793625         0.000000
Minimization converged after 15 steps.
Maximum force component: 1.1588365052920025e-33 eV/Angstrom
Maximum stress component: 6.441987976130093e-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([[2.605447449790184, 2.0160270622553115e-17, 7.720821959677633e-37], [-1.302723724895092, 2.2563836797436787, 6.925377748289231e-36], [-1.4337292824478903e-36, -1.1278583494596316e-35, 4.167549442797449]])
forces =  [[-6.69054568e-34  1.15883651e-33  3.55674464e-69]
 [ 6.69054568e-34 -1.15883651e-33 -3.55674464e-69]]
stress =  [-2.16893954e-11 -2.16893954e-11 -6.44198798e-11  3.93231232e-33
  7.56773858e-34 -6.94588323e-27]
energy per atom =  -3.8968123148134577
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0