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_BelandTammMu_2017_FeNiCr__MO_715003088863_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 13:54:47       -8.176347         0.610898
BFGS:    1 13:54:47       -8.190361         0.570864
BFGS:    2 13:54:47       -8.223284         0.363901
BFGS:    3 13:54:47       -8.226649         0.189560
BFGS:    4 13:54:47       -8.227991         0.155479
BFGS:    5 13:54:47       -8.232675         0.073745
BFGS:    6 13:54:47       -8.233209         0.024625
BFGS:    7 13:54:47       -8.233261         0.005840
BFGS:    8 13:54:47       -8.233263         0.000129
BFGS:    9 13:54:47       -8.233263         0.000004
BFGS:   10 13:54:47       -8.233263         0.000000
BFGS:   11 13:54:47       -8.233263         0.000000
Minimization converged after 11 steps.
Maximum force component: 7.115222724382211e-32 eV/Angstrom
Maximum stress component: 3.4311720066644304e-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([[2.4739519151508063, -4.865910259498369e-18, -4.2895840439024145e-36], [-1.2369759575754031, 2.142505206261763, 6.731507265915693e-36], [5.189435472161166e-36, 1.162205510825501e-35, 4.039946560191446]])
forces =  [[ 7.11522272e-32 -3.52112208e-32 -1.98751653e-67]
 [-7.11522272e-32  3.52112208e-32  1.98751653e-67]]
stress =  [-4.16413588e-13 -4.16413588e-13 -3.43117201e-12  1.69105048e-33
  5.13857078e-35 -1.29024013e-28]
energy per atom =  -4.11663141707078
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0