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:
MEAM_LAMMPS_YangQi_2019_Nb__MO_360068930164_001
==== 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 16:17:40      -13.990554         0.281466
BFGS:    1 16:17:40      -13.993242         0.163917
BFGS:    2 16:17:40      -13.994602         0.002712
BFGS:    3 16:17:40      -13.994603         0.000025
BFGS:    4 16:17:40      -13.994603         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9646998350938888e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.322380463347448, 7.847557433686827e-35, -5.2917393681369944e-34], [-2.418439230116338e-36, 3.322380463347448, 4.809742046320402e-23], [-1.9215599159528365e-34, 4.809742046289561e-23, 3.322380463347448]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.96469984e-10 1.96469984e-10 1.96469984e-10 9.11797342e-26
 2.90797392e-36 1.04166026e-51]
energy per atom =  -6.997301419694697
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0