element(s):
['N']
AFLOW prototype label:
A_tP4_136_f
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2482', '1.3389436', '0.092623864']
model name:
Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['N']
representative atom coordinates =  [[0.09262386 0.09262386 0.        ]]
spacegroup =  136
cell =  [[4.2482, 0, 0], [0, 4.2482, 0], [0, 0, 5.6881]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:45:39      -19.819358        0.2150
BFGS:    1 17:45:39      -19.819117        0.2556
BFGS:    2 17:45:39      -19.819993        0.0020
BFGS:    3 17:45:39      -19.819993        0.0000
BFGS:    4 17:45:39      -19.819993        0.0000
Minimization converged after 4 steps.
Maximum force component: 8.737828238736255e-10 eV/Angstrom
Maximum stress component: 1.336375365019777e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N']
basis =  [[9.23881186e-02 9.23881186e-02 1.08655659e-33]
 [9.07611881e-01 9.07611881e-01 0.00000000e+00]
 [4.07611881e-01 5.92388119e-01 5.00000000e-01]
 [5.92388119e-01 4.07611881e-01 5.00000000e-01]]
cellpar =  Cell([[4.247778854623189, 2.833966555579027e-36, -9.776342000897876e-76], [7.129360614987451e-36, 4.247778854623189, 1.6383563573718035e-47], [-1.6023655071537671e-49, 2.1938841546228994e-47, 5.688099999999996]])
forces =  [[ 8.73782824e-10  8.73782824e-10  3.37015578e-57]
 [-8.73782824e-10 -8.73782824e-10 -3.37015578e-57]
 [-8.73782824e-10  8.73782824e-10  3.37015578e-57]
 [ 8.73782824e-10 -8.73782824e-10 -3.37015578e-57]]
stress =  [-1.33637537e-011 -1.33637537e-011 -1.26313902e-105  3.15923196e-097
 -3.76463457e-061 -2.50013097e-064]
energy per atom =  -4.954998248209883
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0