element(s):
['Fe']
AFLOW prototype label:
A_tP1_123_a
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:
['2.2256', '1.0359004']
model name:
Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  123
cell =  [[2.2256, 0, 0], [0, 2.2256, 0], [0, 0, 2.3055]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:45:32       -2.681673         2.313774
BFGS:    1 17:45:32       -2.864217         2.217645
BFGS:    2 17:45:32       -3.021269         0.424106
BFGS:    3 17:45:32       -3.028830         0.163156
BFGS:    4 17:45:32       -3.030150         0.019503
BFGS:    5 17:45:32       -3.030165         0.019486
BFGS:    6 17:45:32       -3.030170         0.015163
BFGS:    7 17:45:32       -3.030175         0.004437
BFGS:    8 17:45:32       -3.030175         0.000858
BFGS:    9 17:45:32       -3.030175         0.000091
BFGS:   10 17:45:32       -3.030175         0.000009
BFGS:   11 17:45:32       -3.030175         0.000000
BFGS:   12 17:45:32       -3.030175         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9258040728570012e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.4528512867015735, 1.3737447514344769e-33, 5.8877439047872e-35], [1.1501064195117458e-33, 2.452851286701574, 7.543110563768694e-21], [-3.2971196025718887e-34, 7.574747888597506e-21, 2.452851286764544]])
forces =  [[0. 0. 0.]]
stress =  [-1.92580407e-10 -1.92580407e-10 -1.49723050e-10 -5.84723550e-27
 -5.76088056e-45 -1.02544825e-59]
energy per atom =  -3.030175440404027
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tP1_123_a, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.