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 15:44:07       -8.052798         2.490435
BFGS:    1 15:44:07       -8.195497         1.767593
BFGS:    2 15:44:07       -8.322748         0.967797
BFGS:    3 15:44:07       -8.381706         0.358535
BFGS:    4 15:44:07       -8.390598         0.103012
BFGS:    5 15:44:07       -8.390962         0.051615
BFGS:    6 15:44:07       -8.391058         0.040041
BFGS:    7 15:44:07       -8.391312         0.034945
BFGS:    8 15:44:07       -8.391436         0.018169
BFGS:    9 15:44:07       -8.391473         0.005730
BFGS:   10 15:44:07       -8.391476         0.000963
BFGS:   11 15:44:07       -8.391476         0.000032
BFGS:   12 15:44:07       -8.391476         0.000001
BFGS:   13 15:44:07       -8.391476         0.000000
BFGS:   14 15:44:07       -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, -3.6501227927225104e-17, -1.0746140629561699e-35], [-1.2828629812674757, 2.2219838627045494, -5.757388211264841e-35], [-4.164520807377451e-36, -3.611851996428933e-35, 4.1894539378982785]])
forces =  [[-1.18593803e-32  6.84701641e-33 -1.44299119e-67]
 [ 3.95312677e-33 -2.28233880e-33  4.80997064e-68]]
stress =  [ 1.82266618e-14  1.82266618e-14 -5.63864001e-12  4.41368042e-34
  1.77685933e-46 -9.26321663e-31]
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