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:
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cr__MO_245813471114_004
==== 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       -5.156030        3.1797
BFGS:    1 14:52:13       -5.584560        3.2565
BFGS:    2 14:52:13       -6.059647        3.2788
BFGS:    3 14:52:13       -6.523485        3.1850
BFGS:    4 14:52:13       -6.959861        2.9157
BFGS:    5 14:52:13       -7.338544        2.4304
BFGS:    6 14:52:13       -7.619470        1.6189
BFGS:    7 14:52:13       -7.756970        0.4242
BFGS:    8 14:52:13       -7.762233        0.1222
BFGS:    9 14:52:13       -7.762681        0.0449
BFGS:   10 14:52:13       -7.762719        0.0338
BFGS:   11 14:52:13       -7.762759        0.0002
BFGS:   12 14:52:13       -7.762759        0.0000
BFGS:   13 14:52:13       -7.762759        0.0000
BFGS:   14 14:52:13       -7.762759        0.0000
Minimization converged after 14 steps.
Maximum force component: 3.4208946552855e-32 eV/Angstrom
Maximum stress component: 3.3753611323581944e-11 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([[2.561870274810214, -2.8362194383152766e-17, 9.169601308489942e-36], [-1.280935137405107, 2.2186447391858657, 4.717228533939985e-35], [-5.005862415484401e-35, 1.217193854069191e-35, 4.180692221674139]])
forces =  [[ 1.31572871e-32  1.36734539e-32  3.66071029e-67]
 [-3.42089466e-32  2.27890898e-32  4.09186715e-67]]
stress =  [ 1.16357375e-11  1.16357375e-11 -3.37536113e-11  1.38424596e-33
 -6.71323612e-34 -5.07718710e-27]
energy per atom =  -3.8813793126547926
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0