element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB_tP2_123_a_d
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5968', '1.3704174']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.5968, 0, 0], [0, 2.5968, 0], [0, 0, 3.5587]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:56:33       -3.635050         1.075659
BFGS:    1 14:56:34       -3.675473         0.877214
BFGS:    2 14:56:34       -3.730872         0.265240
BFGS:    3 14:56:35       -3.731974         0.119614
BFGS:    4 14:56:35       -3.732450         0.110944
BFGS:    5 14:56:36       -3.734993         0.018339
BFGS:    6 14:56:36       -3.735031         0.001606
BFGS:    7 14:56:37       -3.735031         0.000016
BFGS:    8 14:56:37       -3.735031         0.000000
BFGS:    9 14:56:38       -3.735031         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.662336093075153e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.498445437314488, 1.0922827851310808e-36, 1.9559180686858136e-33], [-7.558503448703656e-35, 2.4984454373144884, -1.4897065592369774e-17], [1.7462044224320687e-32, -2.0636759982457788e-17, 3.5280437189947027]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.67848338e-10 -4.67848338e-10 -5.66233609e-10  4.11305773e-25
 -1.04876430e-33  7.05659175e-49]
energy per atom =  -1.867515524045153
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0