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 09:46:00      181.527282       360.268895
BFGS:    1 09:46:00      164.326513       327.600475
BFGS:    2 09:46:00      148.553080       297.914009
BFGS:    3 09:46:00      134.065206       270.858854
BFGS:    4 09:46:00      120.736559       246.146829
BFGS:    5 09:46:00      108.466637       223.543394
BFGS:    6 09:46:00       98.794924       205.790135
BFGS:    7 09:46:00       90.620310       190.752172
BFGS:    8 09:46:00       82.734123       176.113170
BFGS:    9 09:46:00       74.097942       159.849382
BFGS:   10 09:46:00       66.271291       144.883095
BFGS:   11 09:46:00       59.249170       131.297135
BFGS:   12 09:46:00       52.924673       118.960852
BFGS:   13 09:46:00       47.216092       107.763752
BFGS:   14 09:46:00       42.057108        97.611778
BFGS:   15 09:46:00       37.390791        88.421005
BFGS:   16 09:46:00       33.167092        80.112693
BFGS:   17 09:46:00       29.341538        72.609755
BFGS:   18 09:46:00       25.874479        65.835943
BFGS:   19 09:46:00       22.730677        59.715550
BFGS:   20 09:46:00       19.879002        54.176010
BFGS:   21 09:46:00       17.292115        49.149510
BFGS:   22 09:46:01       14.946055        44.575164
BFGS:   23 09:46:01       12.819725        40.400656
BFGS:   24 09:46:01       10.894343        36.582468
BFGS:   25 09:46:01        9.152875        33.085493
BFGS:   26 09:46:01        7.579586        29.882002
BFGS:   27 09:46:01        6.159670        26.949745
BFGS:   28 09:46:01        4.879064        24.270213
BFGS:   29 09:46:01        3.724446        21.826842
BFGS:   30 09:46:01        2.683407        19.603358
BFGS:   31 09:46:01        1.744805        17.583192
BFGS:   32 09:46:01        0.899097        15.749171
BFGS:   33 09:46:01        0.138492        14.084323
BFGS:   34 09:46:01       -0.543289        12.572960
BFGS:   35 09:46:01       -1.151629        11.201401
BFGS:   36 09:46:01       -1.691712         9.958219
BFGS:   37 09:46:01       -2.169035         8.833623
BFGS:   38 09:46:01       -2.589519         7.818887
BFGS:   39 09:46:01       -2.959300         6.905859
BFGS:   40 09:46:01       -3.284375         6.086602
BFGS:   41 09:46:02       -3.570261         5.353246
BFGS:   42 09:46:02       -3.821784         4.697931
BFGS:   43 09:46:02       -4.043011         4.112777
BFGS:   44 09:46:02       -4.237282         3.590122
BFGS:   45 09:46:02       -4.407331         3.122559
BFGS:   46 09:46:02       -4.555423         2.703136
BFGS:   47 09:46:02       -4.683485         2.325498
BFGS:   48 09:46:02       -4.793210         1.983994
BFGS:   49 09:46:02       -4.886133         1.673724
BFGS:   50 09:46:02       -4.963667         1.390531
BFGS:   51 09:46:02       -5.027121         1.130949
BFGS:   52 09:46:02       -5.077708         0.892118
BFGS:   53 09:46:02       -5.116546         0.671727
BFGS:   54 09:46:02       -5.144666         0.467791
BFGS:   55 09:46:02       -5.163007         0.278819
BFGS:   56 09:46:02       -5.172438         0.137421
BFGS:   57 09:46:02       -5.174233         0.102325
BFGS:   58 09:46:02       -5.174399         0.070597
BFGS:   59 09:46:02       -5.174535         0.013301
BFGS:   60 09:46:02       -5.174548         0.002297
BFGS:   61 09:46:02       -5.174549         0.000577
BFGS:   62 09:46:02       -5.174549         0.000199
BFGS:   63 09:46:02       -5.174549         0.000042
BFGS:   64 09:46:02       -5.174549         0.000005
BFGS:   65 09:46:03       -5.174549         0.000001
BFGS:   66 09:46:03       -5.174549         0.000000
BFGS:   67 09:46:03       -5.174549         0.000000
BFGS:   68 09:46:03       -5.174549         0.000000
BFGS:   69 09:46:03       -5.174549         0.000000
BFGS:   70 09:46:03       -5.174549         0.000000
BFGS:   71 09:46:03       -5.174549         0.000000
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.