element(s):
['Cr']
AFLOW prototype label:
A_hP2_194_c
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:
['3.0849', '1.6535058']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0849, 0, 0], [-1.54245, 2.6716017681346, 0], [0, 0, 5.1009]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:51:55       -1.788970         1.565087
BFGS:    1 10:51:56       -1.893272         1.642332
BFGS:    2 10:51:58       -2.142703         1.801425
BFGS:    3 10:51:59       -2.412918         1.928929
BFGS:    4 10:52:01       -2.699413         1.999569
BFGS:    5 10:52:03       -2.991263         1.963536
BFGS:    6 10:52:04       -3.265815         1.759851
BFGS:    7 10:52:06       -3.483189         1.228857
BFGS:    8 10:52:08       -3.576549         0.116315
BFGS:    9 10:52:09       -3.576772         0.075190
BFGS:   10 10:52:11       -3.577054         0.002300
BFGS:   11 10:52:12       -3.577054         0.000095
BFGS:   12 10:52:14       -3.577054         0.000004
BFGS:   13 10:52:16       -3.577054         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.8721643679863555e-31 eV/Angstrom
Maximum stress component: 2.68855269720274e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.5314669704573944, 1.6204041544403534e-17, 2.5440948165934572e-36], [-1.2657334852286972, 2.192314705257333, 4.112611611711496e-36], [2.281563626426494e-36, 3.996438243942816e-36, 4.134513895032485]])
forces =  [[ 1.87216437e-31 -3.60298201e-32  9.96556092e-68]
 [-1.87216437e-31  3.60298201e-32 -9.96556092e-68]]
stress =  [ 2.68855270e-10  2.68855270e-10 -1.04714380e-10 -3.39964145e-34
 -5.88835172e-34 -3.51917198e-29]
energy per atom =  -1.7885271843975223
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0