element(s):
['Fe']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9647']
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 =  229
cell =  [[2.9647, 0, 0], [0, 2.9647, 0], [0, 0, 2.9647]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:54:40       -8.514969         1.522306
BFGS:    1 15:54:40       -8.607365         1.290948
BFGS:    2 15:54:40       -8.740182         0.401142
BFGS:    3 15:54:40       -8.750846         0.062533
BFGS:    4 15:54:40       -8.751137         0.002589
BFGS:    5 15:54:40       -8.751138         0.000204
BFGS:    6 15:54:40       -8.751138         0.000001
BFGS:    7 15:54:40       -8.751138         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4707733402412027e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8296494540349126, -8.63469910670391e-33, -1.003615457371668e-33], [-1.5467026080485295e-32, 2.8296494540349126, 9.9926823751044e-18], [-5.682034955042547e-33, 9.992682375104358e-18, 2.8296494540349126]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.47077334e-11 -1.47077334e-11 -1.47077334e-11  8.00885908e-28
  6.41422136e-35 -2.20308727e-51]
energy per atom =  -4.3755687722608
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0