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:
MEAM_LAMMPS_DoShinLee_2009_GaInN__MO_815057898706_002
==== 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 20:56:47      -11.505091         0.577713
BFGS:    1 20:56:47      -11.511155         0.561163
BFGS:    2 20:56:47      -11.543596         0.437471
BFGS:    3 20:56:47      -11.567613         0.308275
BFGS:    4 20:56:47      -11.581987         0.390506
BFGS:    5 20:56:47      -11.587484         0.441041
BFGS:    6 20:56:47      -11.591603         0.437777
BFGS:    7 20:56:47      -11.606728         0.401936
BFGS:    8 20:56:47      -11.621381         0.359329
BFGS:    9 20:56:47      -11.635194         0.322713
BFGS:   10 20:56:47      -11.647591         0.317986
BFGS:   11 20:56:47      -11.657967         0.292445
BFGS:   12 20:56:47      -11.665654         0.230984
BFGS:   13 20:56:47      -11.669438         0.112091
BFGS:   14 20:56:48      -11.670421         0.082574
BFGS:   15 20:56:48      -11.672022         0.099001
BFGS:   16 20:56:48      -11.674039         0.115389
BFGS:   17 20:56:48      -11.676823         0.125370
BFGS:   18 20:56:48      -11.678994         0.119138
BFGS:   19 20:56:48      -11.680124         0.103505
BFGS:   20 20:56:48      -11.680466         0.095235
BFGS:   21 20:56:48      -11.681124         0.082743
BFGS:   22 20:56:48      -11.682652         0.114438
BFGS:   23 20:56:48      -11.685003         0.136201
BFGS:   24 20:56:48      -11.687342         0.130731
BFGS:   25 20:56:48      -11.689599         0.115699
BFGS:   26 20:56:48      -11.691770         0.111712
BFGS:   27 20:56:48      -11.693928         0.128526
BFGS:   28 20:56:48      -11.695917         0.149990
BFGS:   29 20:56:48      -11.698174         0.146697
BFGS:   30 20:56:48      -11.702975         0.096921
BFGS:   31 20:56:49      -11.706147         0.038077
BFGS:   32 20:56:49      -11.706531         0.011976
BFGS:   33 20:56:49      -11.706562         0.011660
BFGS:   34 20:56:49      -11.706584         0.011901
BFGS:   35 20:56:49      -11.706590         0.010998
BFGS:   36 20:56:49      -11.706598         0.010777
BFGS:   37 20:56:49      -11.706647         0.011761
BFGS:   38 20:56:49      -11.706694         0.011409
BFGS:   39 20:56:49      -11.706728         0.006369
BFGS:   40 20:56:49      -11.706736         0.001639
BFGS:   41 20:56:49      -11.706736         0.000139
BFGS:   42 20:56:49      -11.706736         0.000009
BFGS:   43 20:56:49      -11.706736         0.000001
BFGS:   44 20:56:49      -11.706736         0.000000
BFGS:   45 20:56:49      -11.706736         0.000000
Minimization converged after 45 steps.
Maximum force component: 2.911606035210703e-12 eV/Angstrom
Maximum stress component: 2.6540443797102313e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga']
basis =  [[2.42257756e-20 9.00674727e-01 2.50000000e-01]
 [5.00000000e-01 4.00674727e-01 2.50000000e-01]
 [1.00000000e+00 9.93252734e-02 7.50000000e-01]
 [5.00000000e-01 5.99325273e-01 7.50000000e-01]]
cellpar =  Cell([[3.007939588696429, 8.141236805423195e-21, -0.025699910453547546], [-8.090564463755442e-20, 7.006722555930323, 1.3323548635541981e-17], [-2.979663932069817, 4.31776033855678e-18, 3.3351070538496863]])
forces =  [[-6.99985765e-32  2.91160604e-12  5.61842924e-30]
 [-7.03471009e-32  2.91160604e-12  5.57763765e-30]
 [ 5.19835041e-32 -2.91160604e-12 -5.55708347e-30]
 [-3.45581056e-33 -2.91160604e-12 -5.53621251e-30]]
stress =  [-2.59701284e-12  2.31399346e-13  9.82022734e-13 -3.98113409e-32
 -2.65404438e-12 -3.02153610e-32]
energy per atom =  -2.9266840355837367
===============================================
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.