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:
Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_004
==== 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      -10.877439         2.520370
BFGS:    1 15:31:04      -11.126720         0.531939
BFGS:    2 15:31:04      -11.134455         0.371585
BFGS:    3 15:31:04      -11.139127         0.304157
BFGS:    4 15:31:04      -11.147611         0.213146
BFGS:    5 15:31:04      -11.153023         0.173153
BFGS:    6 15:31:04      -11.154365         0.178946
BFGS:    7 15:31:04      -11.162122         0.190678
BFGS:    8 15:31:04      -11.164003         0.174063
BFGS:    9 15:31:04      -11.165104         0.151984
BFGS:   10 15:31:04      -11.166607         0.121637
BFGS:   11 15:31:04      -11.169423         0.103384
BFGS:   12 15:31:04      -11.172704         0.095545
BFGS:   13 15:31:04      -11.174793         0.085610
BFGS:   14 15:31:04      -11.175384         0.062783
BFGS:   15 15:31:04      -11.175492         0.050757
BFGS:   16 15:31:04      -11.175588         0.040097
BFGS:   17 15:31:04      -11.175782         0.024697
BFGS:   18 15:31:04      -11.175996         0.021275
BFGS:   19 15:31:04      -11.176122         0.016151
BFGS:   20 15:31:04      -11.176151         0.012886
BFGS:   21 15:31:04      -11.176157         0.010686
BFGS:   22 15:31:04      -11.176165         0.009133
BFGS:   23 15:31:04      -11.176182         0.008546
BFGS:   24 15:31:04      -11.176205         0.007172
BFGS:   25 15:31:04      -11.176225         0.005491
BFGS:   26 15:31:04      -11.176231         0.002012
BFGS:   27 15:31:04      -11.176232         0.000272
BFGS:   28 15:31:04      -11.176232         0.000014
BFGS:   29 15:31:04      -11.176232         0.000001
BFGS:   30 15:31:04      -11.176232         0.000000
BFGS:   31 15:31:04      -11.176232         0.000000
Minimization converged after 31 steps.
Maximum force component: 3.017776821837015e-09 eV/Angstrom
Maximum stress component: 2.1106704388126427e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga']
basis =  [[1.         0.88941843 0.25      ]
 [0.5        0.38941843 0.25      ]
 [0.         0.11058157 0.75      ]
 [0.5        0.61058157 0.75      ]]
cellpar =  Cell([[2.749785118250801, 9.526360209980423e-23, -0.023305933368867948], [6.423638047285432e-25, 7.581770421202539, -3.109968491899558e-20], [-2.720515989962142, -1.42629545146633e-20, 3.4766675637301683]])
forces =  [[ 2.55680467e-34  3.01777682e-09 -1.23786270e-29]
 [ 2.55680467e-34  3.01777682e-09 -1.23786270e-29]
 [-2.55680467e-34 -3.01777682e-09  1.23786270e-29]
 [-2.55680467e-34 -3.01777682e-09  1.23786270e-29]]
stress =  [-1.39525862e-11 -2.11067044e-10 -2.02947549e-11 -4.16242120e-35
 -4.15264337e-11 -9.71592620e-35]
energy per atom =  -2.7940579257536093
===============================================
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.