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_SmirnovaStarikov_2017_ZrNb__SM_937902197407_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 16:17:10      -14.959424         0.630277
BFGS:    1 16:17:10      -14.974720         0.498039
BFGS:    2 16:17:10      -14.988177         0.327143
BFGS:    3 16:17:10      -14.993162         0.067259
BFGS:    4 16:17:10      -14.993413         0.005329
BFGS:    5 16:17:10      -14.993414         0.000103
BFGS:    6 16:17:10      -14.993414         0.000000
BFGS:    7 16:17:10      -14.993414         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2747243993203584e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.284958675363733, 9.840531417062529e-33, 5.465938394224088e-34], [1.5141193795263548e-32, 3.284958675363733, -5.099864789297123e-19], [-5.077442129535018e-33, -5.099864789297066e-19, 3.284958675363733]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.27472440e-13  2.27472440e-13  2.27472440e-13 -2.24991540e-29
 -9.51873842e-35  7.57768460e-51]
energy per atom =  -7.4967071430662555
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0