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 18:02:46      -14.997106        0.5035
BFGS:    1 18:02:46      -15.007025        0.4113
BFGS:    2 18:02:46      -15.011508        0.4419
BFGS:    3 18:02:46      -15.019471        0.0942
BFGS:    4 18:02:46      -15.019948        0.0130
BFGS:    5 18:02:46      -15.019957        0.0003
BFGS:    6 18:02:46      -15.019957        0.0000
BFGS:    7 18:02:46      -15.019957        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8511262827985163e-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, 8.123503937268611e-33, 1.8500227142315063e-34], [5.445578628864768e-33, 3.2948399150577226, -1.220540356969111e-17], [-3.2381844577874845e-34, -1.2205403569691111e-17, 3.2948399150577226]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.85112628e-10  1.85112628e-10  1.85112628e-10 -6.23580393e-28
 -6.62321139e-34  4.01612824e-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