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_ChoiKimSeol_2017_CoCr__MO_410167849923_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 13:54:58       -5.572812         3.491659
BFGS:    1 13:54:58       -6.064047         3.413558
BFGS:    2 13:54:58       -6.551477         3.261811
BFGS:    3 13:54:58       -7.018942         3.046798
BFGS:    4 13:54:58       -7.440603         2.724602
BFGS:    5 13:54:58       -7.778572         2.165926
BFGS:    6 13:54:58       -8.001573         1.332232
BFGS:    7 13:54:58       -8.077531         0.168570
BFGS:    8 13:54:58       -8.078596         0.191253
BFGS:    9 13:54:58       -8.081537         0.129365
BFGS:   10 13:54:58       -8.082185         0.034066
BFGS:   11 13:54:58       -8.082220         0.003935
BFGS:   12 13:54:58       -8.082221         0.000611
BFGS:   13 13:54:58       -8.082221         0.000025
BFGS:   14 13:54:58       -8.082221         0.000001
BFGS:   15 13:54:58       -8.082221         0.000000
Minimization converged after 15 steps.
Maximum force component: 2.1382303448591206e-33 eV/Angstrom
Maximum stress component: 5.223261209686537e-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([[2.5948894211764046, 5.826433320661973e-17, -2.636423327226975e-36], [-1.2974447105882023, 2.2472401587502624, -5.3923195525266706e-36], [-1.8710098067967546e-35, -8.16998125134041e-36, 4.163372513413445]])
forces =  [[ 9.60915684e-69  4.19594974e-69 -2.13823034e-33]
 [-9.60915684e-69 -4.19594974e-69  2.13823034e-33]]
stress =  [-5.22326121e-10 -5.22326121e-10 -4.03800726e-10  6.58712198e-34
  3.80307665e-34 -5.57680859e-26]
energy per atom =  -4.0411103743564505
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0