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:
SW_BereSerra_2006_GaN__MO_861114678890_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 14:36:38        2.228836        16.795111
BFGS:    1 14:36:38       -0.458108         8.798551
BFGS:    2 14:36:38       -1.839857         3.927743
BFGS:    3 14:36:38       -2.313648         1.354401
BFGS:    4 14:36:38       -2.394896         0.321279
BFGS:    5 14:36:38       -2.400386         0.036028
BFGS:    6 14:36:38       -2.400459         0.001117
BFGS:    7 14:36:38       -2.400459         0.000004
BFGS:    8 14:36:38       -2.400459         0.000000
Minimization converged after 8 steps.
Maximum force component: 4.4417605715618463e-10 eV/Angstrom
Maximum stress component: 1.149235124733698e-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([[4.2752999999999926, -6.499959700317551e-31, 4.848639596316622e-37], [-2.1376499999999963, 3.7025184087996066, 5.468924448256774e-36], [-6.689754344841081e-36, -1.0265752267161157e-35, 7.318502748706265]])
forces =  [[ 1.02205309e-42  1.77032807e-42  4.44176057e-10]
 [-7.67250345e-43  1.32759029e-42  4.44176057e-10]
 [ 7.67250345e-43 -1.32759029e-42 -4.44176057e-10]
 [-1.02205309e-42 -1.77032807e-42 -4.44176057e-10]]
stress =  [-5.94546434e-43 -5.94546434e-43 -1.14923512e-11  1.05677179e-43
 -8.58411185e-47 -9.86983199e-59]
energy per atom =  -0.6001146638018778
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0