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_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_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 14:46:35       -8.052798         2.490601
BFGS:    1 14:46:35       -8.195506         1.767413
BFGS:    2 14:46:35       -8.322757         0.967603
BFGS:    3 14:46:35       -8.381709         0.358405
BFGS:    4 14:46:35       -8.390598         0.102869
BFGS:    5 14:46:35       -8.390962         0.051984
BFGS:    6 14:46:35       -8.391059         0.040135
BFGS:    7 14:46:35       -8.391303         0.035866
BFGS:    8 14:46:35       -8.391435         0.018567
BFGS:    9 14:46:35       -8.391473         0.006086
BFGS:   10 14:46:36       -8.391476         0.001099
BFGS:   11 14:46:36       -8.391476         0.000042
BFGS:   12 14:46:36       -8.391476         0.000002
BFGS:   13 14:46:36       -8.391476         0.000000
BFGS:   14 14:46:36       -8.391476         0.000000
Minimization converged after 14 steps.
Maximum force component: 3.953141622650997e-33 eV/Angstrom
Maximum stress component: 4.0135663494277446e-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([[2.5657356035792556, -8.763915665817924e-18, 4.2799734838883836e-37], [-1.2828678017896278, 2.221992212093835, -5.7684479618352623e-36], [-1.662206102045033e-36, -1.5788189496710085e-36, 4.1894643796140585]])
forces =  [[ 3.95314162e-33  2.28234738e-33 -5.04588845e-69]
 [-1.31771387e-33  2.28234738e-33 -5.92513422e-69]]
stress =  [-3.32822756e-12 -3.32822756e-12 -4.01356635e-11  1.37926651e-35
 -2.38895968e-35  2.54635390e-28]
energy per atom =  -4.195738141211941
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 
ERROR(@kim_property_modify): input value "Hexagonal Close Packed" doesn't meet the format specification. An integer equal to or greater than 1 or integer indices range of "start:stop".
No parameter sets in this group successfully added a property instance. Skipping this group.