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_LeeBaskesKim_2001_Cr__MO_134550636109_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 15:42:21       -5.537113         3.756578
BFGS:    1 15:42:21       -6.059785         3.623876
BFGS:    2 15:42:21       -6.573413         3.419071
BFGS:    3 15:42:21       -7.061365         3.156416
BFGS:    4 15:42:21       -7.491404         2.768685
BFGS:    5 15:42:21       -7.830885         2.151192
BFGS:    6 15:42:22       -8.049002         1.254671
BFGS:    7 15:42:22       -8.114532         0.254937
BFGS:    8 15:42:22       -8.116289         0.197272
BFGS:    9 15:42:22       -8.117340         0.206569
BFGS:   10 15:42:22       -8.121449         0.115536
BFGS:   11 15:42:22       -8.121925         0.029875
BFGS:   12 15:42:22       -8.121961         0.005127
BFGS:   13 15:42:22       -8.121962         0.000268
BFGS:   14 15:42:22       -8.121962         0.000023
BFGS:   15 15:42:22       -8.121962         0.000001
BFGS:   16 15:42:22       -8.121962         0.000000
Minimization converged after 16 steps.
Maximum force component: 3.3992579236991886e-32 eV/Angstrom
Maximum stress component: 3.0493265209288407e-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([[2.612094047803154, 1.3581676554622792e-16, -6.36346335187802e-37], [-1.306047023901577, 2.2621398024716526, -6.061799910713909e-36], [1.563453483158525e-35, 7.895000779474317e-35, 4.136708493415528]])
forces =  [[-8.04913623e-33  4.64717097e-33  3.39925792e-32]
 [ 8.04913623e-33 -4.64717097e-33 -3.39925792e-32]]
stress =  [-3.04932652e-10 -3.04932652e-10 -1.66401678e-10  3.29295737e-34
  1.90118983e-34  6.86777746e-27]
energy per atom =  -4.060981170274126
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0