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_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
==== 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 15:29:04      -19.819184        0.2427
BFGS:    1 15:29:04      -19.818719        0.3085
BFGS:    2 15:29:04      -19.819993        0.0026
BFGS:    3 15:29:04      -19.819993        0.0000
BFGS:    4 15:29:04      -19.819993        0.0000
Minimization converged after 4 steps.
Maximum force component: 2.4239739104814354e-09 eV/Angstrom
Maximum stress component: 4.7971940213334196e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N']
basis =  [[0.33333333 0.66666667 0.32831829]
 [0.66666666 0.33333334 0.82831829]
 [0.66666666 0.33333334 0.67168171]
 [0.33333333 0.66666667 0.17168171]]
cellpar =  Cell([[4.275299999999993, 1.6484716753704653e-31, 2.3505366962651076e-42], [-2.1376499999999967, 3.7025184087996035, -5.66345582506396e-37], [-1.6321881833343074e-38, 5.831324569003152e-38, 7.086467739296428]])
forces =  [[-1.63593513e-41  1.41676289e-41  2.42397391e-09]
 [-2.04492380e-42 -1.06256868e-41  2.42397391e-09]
 [ 2.04492380e-42  1.06256868e-41 -2.42397391e-09]
 [ 1.63593513e-41 -1.41676289e-41 -2.42397391e-09]]
stress =  [-7.32139569e-42 -7.32139569e-42 -4.79719402e-11  1.45840748e-42
  1.02050407e-47  1.92284158e-57]
energy per atom =  -4.954998248209886
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0