element(s):
['Nb']
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:
['3.3383']
model name:
Sim_LAMMPS_ADP_StarikovSmirnova_2021_ZrNb__SM_993852507257_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nb']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.3383, 0, 0], [0, 3.3383, 0], [0, 0, 3.3383]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:04:29      -14.997106         0.503533
BFGS:    1 16:04:29      -15.007025         0.411310
BFGS:    2 16:04:29      -15.011508         0.441887
BFGS:    3 16:04:29      -15.019471         0.094190
BFGS:    4 16:04:29      -15.019948         0.013015
BFGS:    5 16:04:29      -15.019957         0.000266
BFGS:    6 16:04:29      -15.019957         0.000006
BFGS:    7 16:04:29      -15.019957         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.851126282798516e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2948399150577226, 8.455865802224399e-33, -2.396937549747327e-34], [5.757334154681591e-33, 3.2948399150577226, -1.2205385131463262e-17], [1.4855098174234019e-34, -1.2205385131463266e-17, 3.2948399150577226]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.85112628e-10  1.85112628e-10  1.85112628e-10 -1.27060066e-28
 -6.62321139e-34  2.21082448e-51]
energy per atom =  -7.509978372195801
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0