element(s):
['Cr']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6528']
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 =  225
cell =  [[3.6528, 0, 0], [0, 3.6528, 0], [0, 0, 3.6528]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:16:31      -15.892020         0.578906
BFGS:    1 15:16:31      -15.906061         0.554081
BFGS:    2 15:16:31      -15.983172         0.491504
BFGS:    3 15:16:31      -16.045352         0.267654
BFGS:    4 15:16:31      -16.037929         0.454929
BFGS:    5 15:16:31      -16.054932         0.063499
BFGS:    6 15:16:31      -16.055366         0.010935
BFGS:    7 15:16:31      -16.055378         0.000418
BFGS:    8 15:16:31      -16.055378         0.000003
BFGS:    9 15:16:32      -16.055378         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.518275914481063e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.772812039316016, -6.9295801178637e-33, 6.82566680975483e-34], [5.879289853163285e-34, 3.772812039316016, 1.3852967364719115e-17], [-5.329205659490418e-34, 1.3852967364719121e-17, 3.772812039316016]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.51827591e-11 -4.51827591e-11 -4.51827591e-11  2.96266889e-28
  3.60810261e-35  2.95308510e-53]
energy per atom =  -4.0138445635061615
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0