element(s):
['Ga']
AFLOW prototype label:
A_mC4_15_e
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7913', '2.9000466', '1.53656', '129.558', '0.88421875']
model name:
Sim_LAMMPS_Polymorphic_NordAlbeErhart_2003_GaN__SM_333071728528_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0.         0.88421875 0.25      ]]
spacegroup =  15
cell =  [[2.7913, 0, 0], [0, 8.0949, 0], [-2.7314882631561, 0, 3.306734471989]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:31:04       -9.712013         8.684918
BFGS:    1 15:31:04      -10.727828         4.434888
BFGS:    2 15:31:04      -11.039535         1.814159
BFGS:    3 15:31:04      -11.118147         0.552386
BFGS:    4 15:31:04      -11.126666         0.208686
BFGS:    5 15:31:04      -11.129090         0.241843
BFGS:    6 15:31:04      -11.131392         0.279873
BFGS:    7 15:31:04      -11.135115         0.315983
BFGS:    8 15:31:04      -11.140737         0.217177
BFGS:    9 15:31:04      -11.141786         0.206548
BFGS:   10 15:31:04      -11.148472         0.157843
BFGS:   11 15:31:04      -11.150266         0.356404
BFGS:   12 15:31:04      -11.152654         0.250555
BFGS:   13 15:31:04      -11.156988         0.155864
BFGS:   14 15:31:04      -11.157399         0.109826
BFGS:   15 15:31:04      -11.157626         0.034660
BFGS:   16 15:31:04      -11.157655         0.005752
BFGS:   17 15:31:04      -11.157658         0.000602
BFGS:   18 15:31:04      -11.157658         0.000142
BFGS:   19 15:31:04      -11.157658         0.000017
BFGS:   20 15:31:05      -11.157658         0.000003
BFGS:   21 15:31:05      -11.157658         0.000000
BFGS:   22 15:31:05      -11.157658         0.000000
BFGS:   23 15:31:05      -11.157658         0.000000
Minimization converged after 23 steps.
Maximum force component: 4.934866959516173e-10 eV/Angstrom
Maximum stress component: 1.7876846875737703e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga']
basis =  [[1.         0.89107907 0.25      ]
 [0.5        0.39107907 0.25      ]
 [1.         0.10892093 0.75      ]
 [0.5        0.60892093 0.75      ]]
cellpar =  Cell([[2.724095316546768, 1.5000704243426245e-24, -0.022892828310444188], [2.729836214503406e-24, 7.521463198973539, 4.561936909359524e-23], [-2.695481648323235, 1.916835590060552e-23, 3.427748932775406]])
forces =  [[-1.79105823e-34 -4.93486696e-10 -2.99310801e-33]
 [-1.79105823e-34 -4.93486696e-10 -2.99310801e-33]
 [-1.12665942e-24  4.93486696e-10  9.46825487e-27]
 [-4.47115449e-25  4.93486696e-10  3.75748430e-27]]
stress =  [-1.12915756e-10 -1.78768469e-10 -1.34438150e-10 -2.17231781e-34
  1.00048264e-10 -2.98417786e-34]
energy per atom =  -2.789414452888539
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_mC4_15_e, while relaxed is A_oC4_63_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.