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_Olsson_2009_Fe__MO_024705128470_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 14:56:23       -7.946129         2.919958
BFGS:    1 14:56:23       -8.160746         2.059534
BFGS:    2 14:56:23       -8.328191         1.241509
BFGS:    3 14:56:23       -8.418707         0.606550
BFGS:    4 14:56:23       -8.447590         0.154948
BFGS:    5 14:56:23       -8.448571         0.069174
BFGS:    6 14:56:23       -8.448708         0.051439
BFGS:    7 14:56:23       -8.449089         0.042406
BFGS:    8 14:56:23       -8.449271         0.021931
BFGS:    9 14:56:24       -8.449321         0.006257
BFGS:   10 14:56:24       -8.449325         0.001067
BFGS:   11 14:56:24       -8.449325         0.000038
BFGS:   12 14:56:24       -8.449325         0.000002
BFGS:   13 14:56:24       -8.449325         0.000000
BFGS:   14 14:56:24       -8.449325         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.603026028860507e-32 eV/Angstrom
Maximum stress component: 3.7774517046205216e-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([[2.601058441813116, -3.094846195126811e-17, -3.1444064073506525e-36], [-1.300529220906558, 2.2525826873381267, -1.3158244849176105e-35], [2.857085480934112e-36, 1.4957501788983044e-35, 4.247510648929684]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.60302603e-32 -9.25507509e-33  4.11433628e-68]]
stress =  [-4.30350228e-12 -4.30350228e-12 -3.77745170e-11 -1.50297595e-33
 -3.71890101e-34  1.41814453e-27]
energy per atom =  -4.224662396180682
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0