element(s):
['N']
AFLOW prototype label:
A_cP8_198_2a
Parameter names:
['a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9467', '0.062777283', '0.95474']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N', 'N']
representative atom coordinates =  [[0.06277728 0.06277728 0.06277728]
 [0.95474    0.95474    0.95474   ]]
spacegroup =  198
cell =  [[5.9467, 0, 0], [0, 5.9467, 0], [0, 0, 5.9467]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:24:22       -7.707889        3.9452
BFGS:    1 14:24:22       -9.458841        4.7194
BFGS:    2 14:24:23      -11.537931        5.5869
BFGS:    3 14:24:23      -13.978710        6.5307
BFGS:    4 14:24:23      -16.804484        7.5149
BFGS:    5 14:24:23      -20.018814        8.4742
BFGS:    6 14:24:23      -23.591057        9.2993
BFGS:    7 14:24:23      -27.434799        9.8154
BFGS:    8 14:24:23      -31.376166        9.7526
BFGS:    9 14:24:23      -35.107950        8.7027
BFGS:   10 14:24:23      -38.123738        6.0541
BFGS:   11 14:24:23      -39.616691        0.9012
BFGS:   12 14:24:23      -39.636768        0.3406
BFGS:   13 14:24:23      -39.639999        0.0057
Minimization stalled after 14 steps.
Maximum force component: 0.0032775017595909617 eV/Angstrom
Maximum stress component: 3.6365009316728995e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis =  [[0.00875859 0.00875859 0.00875859]
 [0.49124141 0.99124141 0.50875859]
 [0.99124141 0.50875859 0.49124141]
 [0.50875859 0.49124141 0.99124141]
 [0.00875869 0.00875869 0.00875869]
 [0.49124131 0.99124131 0.50875869]
 [0.99124131 0.50875869 0.49124131]
 [0.50875869 0.49124131 0.99124131]]
cellpar =  Cell([5.9201976172993565, 5.9201976172993565, 5.9201976172993565])
forces =  [[-0.0032775 -0.0032775 -0.0032775]
 [ 0.0032775  0.0032775 -0.0032775]
 [ 0.0032775 -0.0032775  0.0032775]
 [-0.0032775  0.0032775  0.0032775]
 [ 0.0032775  0.0032775  0.0032775]
 [-0.0032775 -0.0032775  0.0032775]
 [-0.0032775  0.0032775 -0.0032775]
 [ 0.0032775 -0.0032775 -0.0032775]]
stress =  [-3.63650093e-11 -3.63650093e-11 -3.63650093e-11  0.00000000e+00
  0.00000000e+00  0.00000000e+00]
energy per atom =  -4.95499989060194
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 ERROR: unexpected error from aflow command aflow --np=1 --proto=A_cP8_198_2a --params=5.9202,0.0087585929,0.0087586901 , error code = 14
stderr: EEEEE  ---------------------------------------------------------------------------------------------------------------------------- 
EEEEE  ERROR anrl::containsDuplicateWyckoffCoordinate(): ERROR 14 in anrl::containsDuplicateWyckoffCoordinate():: Input Error (illegal parameter) - [dir=/mmfs1/scratch/bwaters2/bwaters/job-a8278131-bccf-4cfb-b983-9b831c921432-007-63042c4d-e6d8-4c6c-a997-0808d1928c28/TE_387412179998_001-and-MO_105008013807_000-1695759513/staged_job_files/repository/te/EquilibriumCrystalStructure_A_cP8_198_2a_N__TE_387412179998_001/] - [user=bwaters2] - [host=c008] - [PID=1923238] - [date=Tue Sep 26 14:24:26 2023] - [aflow_anrl.cpp]
EEEEE  ERROR anrl::containsDuplicateWyckoffCoordinate(): Contains duplicate Wyckoff letters with the same degrees of freedom: 0.0087585929000000006805,0,0 - [dir=/mmfs1/scratch/bwaters2/bwaters/job-a8278131-bccf-4cfb-b983-9b831c921432-007-63042c4d-e6d8-4c6c-a997-0808d1928c28/TE_387412179998_001-and-MO_105008013807_000-1695759513/staged_job_files/repository/te/EquilibriumCrystalStructure_A_cP8_198_2a_N__TE_387412179998_001/] - [user=bwaters2] - [host=c008] - [PID=1923238] - [date=Tue Sep 26 14:24:26 2023] - [aflow_anrl.cpp]
EEEEE  ---------------------------------------------------------------------------------------------------------------------------- 

No parameter sets in this group successfully added a property instance. Skipping this group.