element(s):
['Fe']
AFLOW prototype label:
A_tP1_123_a
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:
['2.2256', '1.0359004']
model name:
EAM_Dynamo_AcklandBaconCalder_1997_Fe__MO_142799717516_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  123
cell =  [[2.2256, 0, 0], [0, 2.2256, 0], [0, 0, 2.3055]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:31:09       -3.171695        1.6374
BFGS:    1 14:31:09       -3.222854        0.6130
BFGS:    2 14:31:09       -3.234532        0.1946
BFGS:    3 14:31:09       -3.237029        0.1314
BFGS:    4 14:31:09       -3.237700        0.0726
BFGS:    5 14:31:09       -3.237830        0.0241
BFGS:    6 14:31:09       -3.237840        0.0077
BFGS:    7 14:31:09       -3.237842        0.0010
BFGS:    8 14:31:09       -3.237842        0.0001
BFGS:    9 14:31:09       -3.237842        0.0000
BFGS:   10 14:31:09       -3.237842        0.0000
BFGS:   11 14:31:09       -3.237842        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.516631863291251e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.339489414637944, -2.724685172668017e-34, -2.0412670682311667e-32], [-1.9781123303601126e-34, 2.339489414637944, -4.210581588320917e-19], [7.008923868124456e-34, -4.197155950205153e-19, 2.3394894149412138]])
forces =  [[0. 0. 0.]]
stress =  [-2.51663186e-10 -2.51663186e-10  9.15274096e-11  3.59380158e-28
  6.87272561e-38 -3.61284855e-53]
energy per atom =  -3.237841658306852
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tP1_123_a, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.