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 13:58:11       -7.970791         3.334888
BFGS:    1 13:58:11       -8.221671         2.083336
BFGS:    2 13:58:11       -8.361583         1.027766
BFGS:    3 13:58:11       -8.405122         0.275112
BFGS:    4 13:58:11       -8.407102         0.116912
BFGS:    5 13:58:11       -8.407531         0.080108
BFGS:    6 13:58:11       -8.408087         0.058873
BFGS:    7 13:58:11       -8.408297         0.021621
BFGS:    8 13:58:11       -8.408332         0.006139
BFGS:    9 13:58:11       -8.408333         0.000628
BFGS:   10 13:58:11       -8.408333         0.000024
BFGS:   11 13:58:11       -8.408333         0.000001
BFGS:   12 13:58:11       -8.408333         0.000000
BFGS:   13 13:58:11       -8.408333         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7968401124033563e-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([[2.5502477947450526, -2.437881477615145e-17, -3.79630188867664e-37], [-1.2751238973725263, 2.208579376194459, -1.8735610572090743e-36], [-7.369496022064861e-37, -2.0763389447988356e-36, 4.164750946584035]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.96617273e-12 -7.96617273e-12 -1.79684011e-11  4.85862672e-34
 -7.05808391e-34 -3.94303868e-29]
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