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_BonnyCastinBullens_2013_FeW__MO_737567242631_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 10:53:11       -7.672816         2.077954
BFGS:    1 10:53:11       -7.776809         1.754114
BFGS:    2 10:53:11       -7.912172         1.133850
BFGS:    3 10:53:11       -7.986661         0.460966
BFGS:    4 10:53:11       -8.006759         0.110175
BFGS:    5 10:53:11       -8.008967         0.039317
BFGS:    6 10:53:12       -8.009209         0.016345
BFGS:    7 10:53:12       -8.009225         0.017505
BFGS:    8 10:53:12       -8.009242         0.021011
BFGS:    9 10:53:12       -8.009294         0.027204
BFGS:   10 10:53:12       -8.009414         0.033905
BFGS:   11 10:53:12       -8.009631         0.041661
BFGS:   12 10:53:12       -8.009765         0.026960
BFGS:   13 10:53:12       -8.009854         0.000779
BFGS:   14 10:53:12       -8.009854         0.000121
BFGS:   15 10:53:12       -8.009854         0.000004
BFGS:   16 10:53:12       -8.009854         0.000000
Minimization converged after 16 steps.
Maximum force component: 2.3311844098051642e-32 eV/Angstrom
Maximum stress component: 7.242887267659673e-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([[2.620636495217688, -3.486336398142657e-17, 2.8022278497581693e-36], [-1.310318247608844, 2.269537778943135, -3.296978202115708e-37], [-2.1543515571167907e-36, -8.090653018259997e-36, 4.145280366578106]])
forces =  [[-8.07545968e-33  4.66236882e-33 -6.43399406e-69]
 [ 2.69181989e-33  2.33118441e-32  1.38835297e-68]]
stress =  [-5.53954707e-11 -5.53954707e-11  7.24288727e-11 -2.38833888e-35
 -1.77288184e-35  1.11515434e-26]
energy per atom =  -4.0049270295358275
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.