element(s):
['Nb']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2522']
model name:
MEAM_LAMMPS_YangQi_2019_Nb__MO_360068930164_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nb']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2522, 0, 0], [0, 4.2522, 0], [0, 0, 4.2522]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:28:55      -26.698892         0.227589
BFGS:    1 16:28:55      -26.700914         0.187072
BFGS:    2 16:28:55      -26.705194         0.004014
BFGS:    3 16:28:55      -26.705196         0.000063
BFGS:    4 16:28:55      -26.705196         0.000000
BFGS:    5 16:28:55      -26.705196         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.5526553212206075e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb', 'Nb', 'Nb']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.11001769e-37]]
cellpar =  Cell([[4.2324304530755485, -2.718500429109812e-32, -7.124822695285472e-33], [-3.270791362629806e-32, 4.2324304530755485, -4.633100705169311e-20], [-3.2521106339360126e-33, -4.6331007051697e-20, 4.2324304530755485]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.55265532e-15  5.55265532e-15  5.55265532e-15  1.23109907e-31
 -7.16753076e-36 -5.70323913e-52]
energy per atom =  -6.676299001167287
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0