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:
Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
==== 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 12:12:52      -39.638851        0.2034
BFGS:    1 12:12:52      -39.638558        0.2306
BFGS:    2 12:12:52      -39.639986        0.0017
BFGS:    3 12:12:52      -39.639986        0.0000
BFGS:    4 12:12:52      -39.639986        0.0000
Minimization converged after 4 steps.
Maximum force component: 5.164035125441539e-10 eV/Angstrom
Maximum stress component: 6.295562429731447e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis =  [[0.06264394 0.06264394 0.06264394]
 [0.43735606 0.93735606 0.56264394]
 [0.93735606 0.56264394 0.43735606]
 [0.56264394 0.43735606 0.93735606]
 [0.95487335 0.95487335 0.95487335]
 [0.54512665 0.04512665 0.45487335]
 [0.04512665 0.45487335 0.54512665]
 [0.45487335 0.54512665 0.04512665]]
cellpar =  Cell([5.946509553435799, 5.946509553435799, 5.946509553435799])
forces =  [[ 5.16403513e-10  5.16403513e-10  5.16403513e-10]
 [-5.16403513e-10 -5.16403513e-10  5.16403513e-10]
 [-5.16403513e-10  5.16403513e-10 -5.16403513e-10]
 [ 5.16403513e-10 -5.16403513e-10 -5.16403513e-10]
 [-5.16403513e-10 -5.16403513e-10 -5.16403513e-10]
 [ 5.16403513e-10  5.16403513e-10 -5.16403513e-10]
 [ 5.16403513e-10 -5.16403513e-10  5.16403513e-10]
 [-5.16403513e-10  5.16403513e-10  5.16403513e-10]]
stress =  [-6.29556243e-12 -6.29556243e-12 -6.29556243e-12  0.00000000e+00
  0.00000000e+00  0.00000000e+00]
energy per atom =  -4.954998248209909
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0