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_Polymorphic_BereSerra_2006_GaN__SM_518345582208_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        2.228835        16.795112
BFGS:    1 16:21:51       -0.458108         8.798551
BFGS:    2 16:21:51       -1.839857         3.927743
BFGS:    3 16:21:51       -2.313648         1.354401
BFGS:    4 16:21:51       -2.394896         0.321279
BFGS:    5 16:21:51       -2.400386         0.036028
BFGS:    6 16:21:51       -2.400459         0.001118
BFGS:    7 16:21:51       -2.400459         0.000004
BFGS:    8 16:21:51       -2.400459         0.000000
Minimization converged after 8 steps.
Maximum force component: 4.766417100635476e-10 eV/Angstrom
Maximum stress component: 1.233234776550316e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N']
basis =  [[0.33333333 0.66666667 0.35239001]
 [0.66666666 0.33333334 0.85239001]
 [0.66666666 0.33333334 0.64760999]
 [0.33333333 0.66666667 0.14760999]]
cellpar =  Cell([[4.275299999999992, 8.42048664929615e-31, -1.2184003685134293e-36], [-2.137649999999996, 3.702518408799605, -2.4432381062608704e-36], [8.799354946535246e-35, 1.133837309968801e-35, 7.318502751783376]])
forces =  [[-2.55041689e-42  2.65716513e-42  4.76641710e-10]
 [-5.05498682e-43  3.09990291e-42  4.76641710e-10]
 [ 5.05498682e-43 -3.09990291e-42 -4.76641710e-10]
 [ 2.55041689e-42 -2.65716513e-42 -4.76641710e-10]]
stress =  [-4.64045574e-43 -4.64045574e-43 -1.23323478e-11  2.12048789e-44
  1.23081764e-45 -7.91893426e-59]
energy per atom =  -0.6001146643669301
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0