element(s):
['Cr']
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:
['2.8741']
model name:
Sim_LAMMPS_ADP_HowellsMishin_2018_Cr__SM_884076133432_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.8741, 0, 0], [0, 2.8741, 0], [0, 0, 2.8741]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:51:09       -8.199430         0.098410
BFGS:    1 15:51:09       -8.199774         0.064748
BFGS:    2 15:51:09       -8.200038         0.000553
BFGS:    3 15:51:09       -8.200038         0.000003
BFGS:    4 15:51:09       -8.200038         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1943755360990772e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8800399432006984, 3.2091539290603495e-33, -1.0739095774524218e-33], [4.457422533357019e-33, 2.8800399432006984, 1.1361561388135374e-21], [3.594434771017981e-34, 1.1361561388136706e-21, 2.8800399432006984]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.19437554e-11 -1.19437554e-11 -1.19437554e-11  1.91177085e-28
  2.47669306e-34 -2.86047217e-51]
energy per atom =  -4.100019028209983
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0