element(s):
['N']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2753', '1.6578954', '0.32853587']
model name:
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N']
representative atom coordinates =  [[0.33333333 0.66666667 0.32853587]]
spacegroup =  194
cell =  [[4.2753, 0, 0], [-2.13765, 3.7025184087996, 0], [0, 0, 7.088]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:21:51      -16.532264         3.866036
BFGS:    1 16:21:51      -15.426438        18.984751
BFGS:    2 16:21:51      -16.830941         2.550052
BFGS:    3 16:21:51      -17.015524         2.375520
BFGS:    4 16:21:51      -17.183656         2.024657
BFGS:    5 16:21:51      -17.335388         1.671819
BFGS:    6 16:21:51      -17.476529         1.378918
BFGS:    7 16:21:51      -17.609458         1.148073
BFGS:    8 16:21:51      -17.735280         1.104235
BFGS:    9 16:21:51      -17.854491         1.080706
BFGS:   10 16:21:51      -17.967315         1.047305
BFGS:   11 16:21:51      -18.073884         1.006967
BFGS:   12 16:21:51      -18.174315         0.962039
BFGS:   13 16:21:51      -18.268753         0.914354
BFGS:   14 16:21:51      -18.357380         0.865319
BFGS:   15 16:21:51      -18.440408         0.815993
BFGS:   16 16:21:51      -18.518086         0.767840
BFGS:   17 16:21:51      -18.591043         0.730961
BFGS:   18 16:21:51      -18.661126         0.719326
BFGS:   19 16:21:51      -18.731382         0.741209
BFGS:   20 16:21:51      -18.805903         0.793290
BFGS:   21 16:21:51      -18.888561         0.849248
BFGS:   22 16:21:51      -18.978504         0.839422
BFGS:   23 16:21:51      -19.063673         0.656498
BFGS:   24 16:21:51      -19.119961         0.660270
BFGS:   25 16:21:51      -19.153987         0.503267
BFGS:   26 16:21:51      -19.184615         0.466094
BFGS:   27 16:21:51      -19.212706         0.441871
BFGS:   28 16:21:51      -19.238481         0.419468
BFGS:   29 16:21:51      -19.262227         0.402607
BFGS:   30 16:21:51      -19.285538         0.419178
BFGS:   31 16:21:51      -19.312107         0.496872
BFGS:   32 16:21:52      -19.346393         0.629560
BFGS:   33 16:21:52      -19.391268         0.791826
BFGS:   34 16:21:52      -19.444798         0.894515
BFGS:   35 16:21:52      -19.495786         0.763665
BFGS:   36 16:21:52      -19.518737         0.684311
BFGS:   37 16:21:52      -19.519981         0.083008
BFGS:   38 16:21:52      -19.520000         0.000827
BFGS:   39 16:21:52      -19.520000         0.000001
BFGS:   40 16:21:52      -19.520000         0.000000
Minimization converged after 40 steps.
Maximum force component: 8.919087690628656e-12 eV/Angstrom
Maximum stress component: 7.361172862601946e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N']
basis =  [[0.33333333 0.66666667 0.3039333 ]
 [0.66666666 0.33333334 0.8039333 ]
 [0.66666666 0.33333334 0.6960667 ]
 [0.33333333 0.66666667 0.1960667 ]]
cellpar =  Cell([[5.49388885643422, 4.6086207390355905e-18, 5.620972926810507e-35], [-2.74694442821711, 4.757847315240273, 1.2868565778915253e-34], [-5.75245338303807e-35, -2.9490768616412406e-34, 10.197780215754745]])
forces =  [[-1.64186019e-43 -1.41974905e-43 -8.91908769e-12]
 [ 3.02861047e-43 -9.75271446e-44 -8.91908769e-12]
 [-3.02861047e-43  9.75271446e-44  8.91908769e-12]
 [ 1.64186019e-43  1.41974905e-43  8.91908769e-12]]
stress =  [ 3.79621442e-44  3.79621442e-44  7.36117286e-14  3.70059981e-45
  1.40786281e-48 -1.36800457e-59]
energy per atom =  -4.879999994596931
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0