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_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_001
==== 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 14:52:27       -5.196157        4.7460
BFGS:    1 14:52:28       -5.869383        4.5056
BFGS:    2 14:52:28       -6.468384        3.9437
BFGS:    3 14:52:28       -6.973590        3.2716
BFGS:    4 14:52:28       -7.378902        2.5307
BFGS:    5 14:52:28       -7.673379        1.6970
BFGS:    6 14:52:29       -7.842267        0.7376
BFGS:    7 14:52:29       -7.876408        0.0737
BFGS:    8 14:52:29       -7.876704        0.0171
BFGS:    9 14:52:29       -7.876710        0.0138
BFGS:   10 14:52:29       -7.876724        0.0008
BFGS:   11 14:52:30       -7.876724        0.0001
BFGS:   12 14:52:30       -7.876724        0.0000
BFGS:   13 14:52:30       -7.876724        0.0000
Minimization converged after 13 steps.
Maximum force component: 1.601287228137851e-32 eV/Angstrom
Maximum stress component: 3.040464325934121e-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([[2.598237076335033, 7.504229605618836e-17, 2.398252579672833e-36], [-1.2991185381675165, 2.2501393131607457, 3.731054349757985e-36], [2.9188293790225274e-35, 1.073683610534142e-35, 4.242903376904603]])
forces =  [[-1.60128723e-32  1.38675542e-32  1.56042114e-68]
 [ 1.06752482e-32 -4.62251806e-33 -2.74612918e-70]]
stress =  [ 1.15732837e-10  1.15732837e-10 -3.04046433e-10  1.72141922e-33
  1.24946446e-44 -4.38173164e-26]
energy per atom =  -3.937926609769946
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0