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:
Sim_LAMMPS_ADP_StarikovSmirnovaPradhan_2021_Fe__SM_906654900816_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 17:29:28       -3.745817        0.9558
BFGS:    1 17:29:28       -3.770788        0.4951
BFGS:    2 17:29:28       -3.776849        0.2067
BFGS:    3 17:29:28       -3.777239        0.0781
BFGS:    4 17:29:28       -3.777298        0.0011
BFGS:    5 17:29:28       -3.777298        0.0000
BFGS:    6 17:29:28       -3.777298        0.0000
BFGS:    7 17:29:28       -3.777298        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.77768625282915e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.283473511485592, -2.4784973378988515e-36, 2.1250778600298218e-35], [2.9795231686866737e-35, 2.2834735114855915, 4.203853454754434e-21], [1.232649638864788e-53, 4.1515440217758965e-21, 2.2834735114552456]])
forces =  [[0. 0. 0.]]
stress =  [ 2.20187829e-11  2.20187829e-11 -3.77768625e-11 -4.70115289e-27
 -3.22779573e-64 -1.56364015e-62]
energy per atom =  -3.777298413295866
===============================================
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.