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_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_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 16:52:50       -7.080845        0.7457
BFGS:    1 16:52:51       -7.103388        0.6641
BFGS:    2 16:52:51       -7.170270        0.2060
BFGS:    3 16:52:51       -7.175852        0.0456
BFGS:    4 16:52:51       -7.176116        0.0023
BFGS:    5 16:52:52       -7.176116        0.0000
BFGS:    6 16:52:52       -7.176116        0.0000
BFGS:    7 16:52:52       -7.176116        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.673031941810732e-15 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([[3.5804196594454454, -2.4387954452124514e-33, -5.0536478653422194e-33], [-2.045111874027218e-33, 3.5804196594454454, -4.677754399034112e-18], [1.94483976699533e-33, -4.6777543990341185e-18, 3.5804196594454454]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [6.67303194e-15 6.67303194e-15 6.67303194e-15 1.92976728e-30
 8.01256097e-35 1.36597474e-50]
energy per atom =  -1.7940290828498326
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0