element(s):
['N']
AFLOW prototype label:
A_oP2_51_e
Parameter names:
['a', 'b/a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.3041', '0.4598787', '0.18035076', '0.73032605']
model name:
Sim_LAMMPS_Polymorphic_ZhouJonesChu_2017_GaInN__SM_887684855692_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N']
representative atom coordinates =  [[0.25       0.         0.73032605]]
spacegroup =  51
cell =  [[7.3041, 0, 0], [0, 3.359, 0], [0, 0, 1.3173]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:03:18      181.527282      360.2689
BFGS:    1 17:03:18      164.326513      327.6005
BFGS:    2 17:03:18      148.553080      297.9140
BFGS:    3 17:03:18      134.065206      270.8589
BFGS:    4 17:03:18      120.736559      246.1468
BFGS:    5 17:03:18      108.466637      223.5434
BFGS:    6 17:03:18       98.794924      205.7901
BFGS:    7 17:03:18       90.620310      190.7522
BFGS:    8 17:03:18       82.734123      176.1132
BFGS:    9 17:03:18       74.097942      159.8494
BFGS:   10 17:03:18       66.271291      144.8831
BFGS:   11 17:03:18       59.249170      131.2971
BFGS:   12 17:03:19       52.924673      118.9609
BFGS:   13 17:03:19       47.216092      107.7638
BFGS:   14 17:03:19       42.057108       97.6118
BFGS:   15 17:03:19       37.390791       88.4210
BFGS:   16 17:03:19       33.167092       80.1127
BFGS:   17 17:03:19       29.341538       72.6098
BFGS:   18 17:03:19       25.874479       65.8359
BFGS:   19 17:03:19       22.730677       59.7155
BFGS:   20 17:03:19       19.879002       54.1760
BFGS:   21 17:03:19       17.292115       49.1495
BFGS:   22 17:03:19       14.946055       44.5752
BFGS:   23 17:03:19       12.819725       40.4007
BFGS:   24 17:03:19       10.894343       36.5825
BFGS:   25 17:03:19        9.152875       33.0855
BFGS:   26 17:03:19        7.579586       29.8820
BFGS:   27 17:03:19        6.159670       26.9497
BFGS:   28 17:03:19        4.879064       24.2702
BFGS:   29 17:03:19        3.724446       21.8268
BFGS:   30 17:03:19        2.683407       19.6034
BFGS:   31 17:03:19        1.744805       17.5832
BFGS:   32 17:03:19        0.899097       15.7492
BFGS:   33 17:03:19        0.138492       14.0843
BFGS:   34 17:03:19       -0.543289       12.5730
BFGS:   35 17:03:19       -1.151629       11.2014
BFGS:   36 17:03:19       -1.691712        9.9582
BFGS:   37 17:03:19       -2.169035        8.8336
BFGS:   38 17:03:19       -2.589519        7.8189
BFGS:   39 17:03:19       -2.959300        6.9059
BFGS:   40 17:03:19       -3.284375        6.0866
BFGS:   41 17:03:19       -3.570261        5.3532
BFGS:   42 17:03:19       -3.821784        4.6979
BFGS:   43 17:03:20       -4.043011        4.1128
BFGS:   44 17:03:20       -4.237282        3.5901
BFGS:   45 17:03:20       -4.407331        3.1226
BFGS:   46 17:03:20       -4.555423        2.7031
BFGS:   47 17:03:20       -4.683485        2.3255
BFGS:   48 17:03:20       -4.793210        1.9840
BFGS:   49 17:03:20       -4.886133        1.6737
BFGS:   50 17:03:20       -4.963667        1.3905
BFGS:   51 17:03:20       -5.027121        1.1309
BFGS:   52 17:03:20       -5.077708        0.8921
BFGS:   53 17:03:20       -5.116546        0.6717
BFGS:   54 17:03:20       -5.144666        0.4678
BFGS:   55 17:03:20       -5.163007        0.2788
BFGS:   56 17:03:20       -5.172438        0.1374
BFGS:   57 17:03:20       -5.174233        0.1023
BFGS:   58 17:03:20       -5.174399        0.0706
BFGS:   59 17:03:20       -5.174535        0.0133
BFGS:   60 17:03:20       -5.174548        0.0023
BFGS:   61 17:03:20       -5.174549        0.0006
BFGS:   62 17:03:20       -5.174549        0.0002
BFGS:   63 17:03:20       -5.174549        0.0000
BFGS:   64 17:03:20       -5.174549        0.0000
BFGS:   65 17:03:20       -5.174549        0.0000
BFGS:   66 17:03:20       -5.174549        0.0000
BFGS:   67 17:03:20       -5.174549        0.0000
BFGS:   68 17:03:20       -5.174549        0.0000
BFGS:   69 17:03:20       -5.174549        0.0000
BFGS:   70 17:03:20       -5.174549        0.0000
BFGS:   71 17:03:20       -5.174549        0.0000
Minimization converged after 71 steps.
Maximum force component: 9.37499973485689e-11 eV/Angstrom
Maximum stress component: 1.8161658480706852e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N']
basis =  [[2.50000000e-01 1.75312493e-34 7.50000000e-01]
 [7.50000000e-01 0.00000000e+00 2.50000000e-01]]
cellpar =  Cell([[5.478543336085388, 7.808270556449081e-34, 0.0], [3.3698352990933323e-34, 3.12333718039143, 0.0], [0.0, 0.0, 3.16303847024156]])
forces =  [[ 0.00000000e+00  0.00000000e+00  9.37499973e-11]
 [ 0.00000000e+00  0.00000000e+00 -9.37499973e-11]]
stress =  [-1.81616585e-10  4.57686170e-11 -5.50798208e-11  0.00000000e+00
  0.00000000e+00  2.11999653e-44]
energy per atom =  -2.587274420712298
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oP2_51_e, while relaxed is A_hP1_191_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.