element(s):
['N']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0707', '1.631341']
model name:
Sim_LAMMPS_ADP_TseplyaevStarikov_2016_UN__SM_474015477315_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[4.0707, 0, 0], [-2.03535, 3.5253296111853, 0], [0, 0, 6.6407]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:02:51       -2.239980         1.662842
BFGS:    1 15:02:51       -2.355940         1.601574
BFGS:    2 15:02:51       -2.589893         1.504186
BFGS:    3 15:02:51       -2.797069         1.238796
BFGS:    4 15:02:51       -2.965191         1.424841
BFGS:    5 15:02:52       -3.070787         0.885275
BFGS:    6 15:02:52       -3.099435         0.518558
BFGS:    7 15:02:52       -3.235660         2.138412
BFGS:    8 15:02:52       -3.437885         1.407389
BFGS:    9 15:02:52       -3.505330         0.265901
BFGS:   10 15:02:52       -3.507289         0.263121
BFGS:   11 15:02:52       -3.509259         0.263350
BFGS:   12 15:02:52       -3.511130         0.272270
BFGS:   13 15:02:52       -3.517577         0.274839
BFGS:   14 15:02:52       -3.522233         0.285357
BFGS:   15 15:02:52       -3.526361         0.208733
BFGS:   16 15:02:52       -3.528823         0.139694
BFGS:   17 15:02:52       -3.530342         0.028527
BFGS:   18 15:02:52       -3.530405         0.004011
BFGS:   19 15:02:52       -3.530406         0.001090
BFGS:   20 15:02:52       -3.530406         0.000023
BFGS:   21 15:02:52       -3.530406         0.000001
BFGS:   22 15:02:52       -3.530406         0.000000
Minimization converged after 22 steps.
Maximum force component: 9.997155238607167e-33 eV/Angstrom
Maximum stress component: 4.363659631226604e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.2442623587315618, 1.4943202969412574e-16, 1.0280377922219009e-35], [-1.6221311793657809, 2.8096136192031573, 3.893568422183434e-36], [-8.317959157366986e-35, -3.5119251211872274e-34, 5.67687730455131]])
forces =  [[-9.99715524e-33  5.77186027e-33  7.28884533e-34]
 [ 8.33096270e-33 -8.65779040e-33 -7.28884533e-34]]
stress =  [ 4.36365963e-11  4.36365963e-11 -6.88292049e-12 -3.30047902e-34
 -1.39429204e-35  1.53652301e-26]
energy per atom =  -1.7652030187732428
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0