element(s):
['Cr', 'Ni']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5867']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Ni']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.5867, 0, 0], [0, 3.5867, 0], [0, 0, 3.5867]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:31:52       -7.224196         0.297589
BFGS:    1 10:31:53       -7.227723         0.255315
BFGS:    2 10:31:54       -7.236961         0.021832
BFGS:    3 10:31:54       -7.237023         0.001415
BFGS:    4 10:31:55       -7.237024         0.000007
BFGS:    5 10:31:56       -7.237024         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0786651853871804e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Ni']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.19077717e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.19077717e-17]
 [0.00000000e+00 6.19077717e-17 6.19077717e-17]]
cellpar =  Cell([[3.5615680546274016, -5.64484069694554e-33, -9.708452371403201e-35], [-6.461745128935863e-33, 3.5615680546274016, -3.1193734545212926e-20], [1.2571283512109235e-34, -3.11937345452131e-20, 3.5615680546274016]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.07866519e-10 -2.07866519e-10 -2.07866519e-10  2.40269059e-29
  3.23904298e-34  1.90507538e-52]
energy per atom =  -1.809255875226028
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0