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_Fe__MO_650279905230_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 14:56:24       -8.052798         2.490435
BFGS:    1 14:56:24       -8.195497         1.767593
BFGS:    2 14:56:24       -8.322748         0.967797
BFGS:    3 14:56:24       -8.381706         0.358535
BFGS:    4 14:56:24       -8.390598         0.103012
BFGS:    5 14:56:24       -8.390962         0.051615
BFGS:    6 14:56:24       -8.391058         0.040041
BFGS:    7 14:56:24       -8.391312         0.034945
BFGS:    8 14:56:24       -8.391436         0.018169
BFGS:    9 14:56:24       -8.391473         0.005730
BFGS:   10 14:56:24       -8.391476         0.000963
BFGS:   11 14:56:24       -8.391476         0.000032
BFGS:   12 14:56:24       -8.391476         0.000001
BFGS:   13 14:56:24       -8.391476         0.000000
BFGS:   14 14:56:24       -8.391476         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.1859380304810782e-32 eV/Angstrom
Maximum stress component: 5.63864000606283e-12 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([[2.5657259625349513, -3.649909929149091e-17, 1.1322222388170919e-36], [-1.2828629812674757, 2.2219838627045494, -1.514316832221493e-36], [1.0444422748230086e-36, 1.1877812061627971e-35, 4.1894539378982785]])
forces =  [[-1.18593803e-32  6.84701641e-33 -8.15527815e-69]
 [ 3.95312677e-33 -2.28233880e-33  2.71842605e-69]]
stress =  [ 1.82266618e-14  1.82266618e-14 -5.63864001e-12  6.06881058e-34
 -1.76076832e-49 -1.02892747e-30]
energy per atom =  -4.195737787643323
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0