element(s):
['Cr']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.8741']
model name:
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cr__MO_245813471114_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.8741, 0, 0], [0, 2.8741, 0], [0, 0, 2.8741]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:47:46       -7.676149        0.0442
BFGS:    1 17:47:46       -7.676220        0.0301
BFGS:    2 17:47:46       -7.676281        0.0002
BFGS:    3 17:47:46       -7.676281        0.0000
BFGS:    4 17:47:46       -7.676281        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.763206240521712e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.876956327120656, 4.807379055685722e-33, 5.771618280506622e-34], [4.4571699487379175e-33, 2.876956327120656, -2.513421911734083e-22], [2.1807077144166735e-34, -2.513421911732299e-22, 2.876956327120656]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.76320624e-12 -1.76320624e-12 -1.76320624e-12 -1.62610593e-29
 -3.10250638e-35 -3.50749583e-52]
energy per atom =  -3.8381404260684016
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0