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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 15:07:04      -46.011248        21.570208
BFGS:    1 15:07:04      -48.644940        13.840492
BFGS:    2 15:07:04      -50.243103         7.707262
BFGS:    3 15:07:04      -51.021717         2.867896
BFGS:    4 15:07:04      -51.169230         0.508460
BFGS:    5 15:07:04      -51.174496         0.043841
BFGS:    6 15:07:04      -51.174537         0.000762
BFGS:    7 15:07:04      -51.174537         0.000001
BFGS:    8 15:07:04      -51.174537         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.3475822111784045e-12 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([[3.8232301371459463, -5.261555849790519e-34, 2.9485788832832016e-34], [3.088958820036775e-32, 3.8232301371459463, 3.558456544631895e-17], [-6.88136530053884e-33, 3.558456544631895e-17, 3.8232301371459463]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.34758221e-12 -2.34758221e-12 -2.34758221e-12  2.40577904e-29
 -2.10814067e-34 -6.82398812e-51]
energy per atom =  -12.793634135047434
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0