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:
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_004
==== 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 14:57:51       -7.860093         3.379794
BFGS:    1 14:57:52       -8.119853         2.105912
BFGS:    2 14:57:52       -8.264302         1.068888
BFGS:    3 14:57:52       -8.311740         0.265995
BFGS:    4 14:57:52       -8.313509         0.118308
BFGS:    5 14:57:52       -8.313966         0.081969
BFGS:    6 14:57:52       -8.314562         0.059168
BFGS:    7 14:57:52       -8.314780         0.020696
BFGS:    8 14:57:52       -8.314813         0.006724
BFGS:    9 14:57:52       -8.314815         0.000405
BFGS:   10 14:57:52       -8.314815         0.000017
BFGS:   11 14:57:52       -8.314815         0.000000
BFGS:   12 14:57:52       -8.314815         0.000000
Minimization converged after 12 steps.
Maximum force component: 3.1468880067046855e-32 eV/Angstrom
Maximum stress component: 3.729992400231782e-10 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([[2.553058861152135, -6.579805992887496e-18, -3.652494516209921e-37], [-1.2765294305760675, 2.211013831114717, -6.583279693831734e-37], [-2.720139192768512e-36, 1.0586444906839364e-35, 4.170415764696216]])
forces =  [[ 3.14688801e-32 -1.81685664e-32  4.28369525e-33]
 [-3.14688801e-32  1.81685664e-32 -2.40831443e-69]]
stress =  [-1.78056086e-10 -1.78056086e-10 -3.72999240e-10 -4.45582773e-34
 -3.25396687e-45  1.05919957e-26]
energy per atom =  -4.157407717174802
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0