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:
MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_002
==== 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 13:54:59       -5.573887         3.490260
BFGS:    1 13:54:59       -6.064887         3.412824
BFGS:    2 13:54:59       -6.552319         3.261614
BFGS:    3 13:54:59       -7.019817         3.047032
BFGS:    4 13:55:00       -7.440673         2.717835
BFGS:    5 13:55:00       -7.778529         2.165994
BFGS:    6 13:55:00       -8.001569         1.332196
BFGS:    7 13:55:00       -8.077536         0.168586
BFGS:    8 13:55:00       -8.078600         0.191179
BFGS:    9 13:55:00       -8.081532         0.129810
BFGS:   10 13:55:00       -8.082184         0.034365
BFGS:   11 13:55:00       -8.082220         0.003983
BFGS:   12 13:55:00       -8.082221         0.000620
BFGS:   13 13:55:00       -8.082221         0.000025
BFGS:   14 13:55:00       -8.082221         0.000001
BFGS:   15 13:55:00       -8.082221         0.000000
Minimization converged after 15 steps.
Maximum force component: 1.710584273287582e-32 eV/Angstrom
Maximum stress component: 5.39980644390089e-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([[2.594889414112745, 4.752569883340165e-17, 3.7371659097215625e-36], [-1.2974447070563726, 2.247240152632954, 6.226853955720509e-36], [4.783838098471294e-36, 5.807799729164867e-35, 4.163372507086028]])
forces =  [[-1.96551190e-68 -2.38622195e-67 -1.71058427e-32]
 [ 1.96551190e-68  2.38622195e-67  1.71058427e-32]]
stress =  [-5.39980644e-10 -5.39980644e-10 -4.18546069e-10 -2.19570734e-33
 -3.80307667e-34 -2.94506562e-27]
energy per atom =  -4.041110374346426
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0