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_EAMCD_StukowskiSadighErhart_2009_FeCr__SM_775564499513_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 14:52:13       -4.632567        4.7191
BFGS:    1 14:52:13       -5.371057        5.2186
BFGS:    2 14:52:13       -6.154678        5.2445
BFGS:    3 14:52:13       -6.819174        4.2885
BFGS:    4 14:52:13       -7.269712        2.7469
BFGS:    5 14:52:13       -7.528394        1.3029
BFGS:    6 14:52:13       -7.609999        0.0994
BFGS:    7 14:52:13       -7.610561        0.0096
BFGS:    8 14:52:13       -7.610564        0.0069
BFGS:    9 14:52:13       -7.610565        0.0053
BFGS:   10 14:52:13       -7.610566        0.0002
BFGS:   11 14:52:13       -7.610566        0.0000
BFGS:   12 14:52:13       -7.610566        0.0000
BFGS:   13 14:52:13       -7.610566        0.0000
Minimization converged after 13 steps.
Maximum force component: 3.277128183727124e-32 eV/Angstrom
Maximum stress component: 1.1312041462403762e-13 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([[2.658722245840983, 1.8726285203080702e-16, -5.6101555994954206e-36], [-1.3293611229204916, 2.3025210065051063, -5.897507571444342e-36], [-2.229796597134988e-35, -2.2297539068505972e-35, 4.341675246731336]])
forces =  [[-3.27712818e-32  1.89205084e-32 -2.36125767e-69]
 [ 2.18475212e-32 -1.89205084e-32  2.54114266e-68]]
stress =  [ 9.75783538e-14  9.75783538e-14  1.13120415e-13  1.02420632e-47
  1.42373411e-33 -2.39913617e-30]
energy per atom =  -3.7657294746293073
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0