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 13:54:29       -4.632567         4.719080
BFGS:    1 13:54:29       -5.371057         5.218563
BFGS:    2 13:54:29       -6.154678         5.244496
BFGS:    3 13:54:29       -6.819174         4.288454
BFGS:    4 13:54:29       -7.269712         2.746949
BFGS:    5 13:54:29       -7.528394         1.302872
BFGS:    6 13:54:29       -7.609999         0.099424
BFGS:    7 13:54:29       -7.610561         0.009624
BFGS:    8 13:54:29       -7.610564         0.006875
BFGS:    9 13:54:29       -7.610565         0.005339
BFGS:   10 13:54:29       -7.610566         0.000157
BFGS:   11 13:54:29       -7.610566         0.000003
BFGS:   12 13:54:29       -7.610566         0.000000
BFGS:   13 13:54:29       -7.610566         0.000000
Minimization converged after 13 steps.
Maximum force component: 3.8233162143483135e-32 eV/Angstrom
Maximum stress component: 1.137929299209051e-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([[2.6587222458409845, 4.432545691087597e-17, -9.431007473516438e-36], [-1.3293611229204922, 2.3025210065051067, -2.7207167017943303e-35], [-5.797479237473627e-37, -7.146422080909698e-35, 4.341675246731336]])
forces =  [[ 3.82331621e-32 -2.83807626e-32 -1.78384264e-32]
 [-3.82331621e-32  2.83807626e-32  1.78384264e-32]]
stress =  [ 9.85656537e-14  9.85656537e-14  1.13792930e-13 -4.10996637e-33
 -1.42373411e-33  3.49568655e-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