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_1959HighCutoff_Fe__MO_147603128437_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 14:54:58       -7.970791        3.3349
BFGS:    1 14:54:58       -8.221671        2.0833
BFGS:    2 14:54:58       -8.361583        1.0278
BFGS:    3 14:54:58       -8.405122        0.2751
BFGS:    4 14:54:58       -8.407102        0.1169
BFGS:    5 14:54:58       -8.407531        0.0801
BFGS:    6 14:54:58       -8.408087        0.0589
BFGS:    7 14:54:58       -8.408297        0.0216
BFGS:    8 14:54:58       -8.408332        0.0061
BFGS:    9 14:54:58       -8.408333        0.0006
BFGS:   10 14:54:58       -8.408333        0.0000
BFGS:   11 14:54:58       -8.408333        0.0000
BFGS:   12 14:54:58       -8.408333        0.0000
BFGS:   13 14:54:58       -8.408333        0.0000
Minimization converged after 13 steps.
Maximum force component: 3.969997878157726e-33 eV/Angstrom
Maximum stress component: 1.7968126616798922e-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([[2.5502477947450535, -2.4431173346104047e-17, 1.3235784810577037e-36], [-1.2751238973725267, 2.20857937619446, -1.1544315286869716e-37], [-6.973927416638303e-36, -1.5046138289810626e-35, 4.164750946584035]])
forces =  [[-2.29207934e-33  3.96999788e-33 -2.07513063e-70]
 [ 2.29207934e-33 -3.96999788e-33  2.07513063e-70]]
stress =  [-7.96491734e-12 -7.96491734e-12 -1.79681266e-11  3.57344534e-33
 -8.34985225e-47 -4.18120198e-27]
energy per atom =  -4.204166700823449
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0