element(s):
['Ga']
AFLOW prototype label:
A_mC2_12_a
Parameter names:
['a', 'b/a', 'c/a', 'beta']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0582', '1.0145385', '0.73249224', '132.5951']
model name:
Sim_LAMMPS_BOP_MurdickZhouWadley_2006_GaAs__SM_104202807866_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0 0 0]]
spacegroup =  12
cell =  [[4.0582, 0, 0], [0, 4.1172, 0], [-2.0118943694303, 0, 2.188294268661]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:19:22       -5.650862        0.5645
BFGS:    1 16:19:22       -5.656434        0.4414
BFGS:    2 16:19:22       -5.666465        0.2160
BFGS:    3 16:19:22       -5.668371        0.1448
BFGS:    4 16:19:22       -5.669010        0.1511
BFGS:    5 16:19:22       -5.673756        0.1323
BFGS:    6 16:19:22       -5.675267        0.0747
BFGS:    7 16:19:22       -5.675665        0.0372
BFGS:    8 16:19:22       -5.675711        0.0305
BFGS:    9 16:19:22       -5.675768        0.0255
BFGS:   10 16:19:22       -5.675825        0.0180
BFGS:   11 16:19:22       -5.675852        0.0075
BFGS:   12 16:19:22       -5.675857        0.0027
BFGS:   13 16:19:22       -5.675857        0.0016
BFGS:   14 16:19:22       -5.675857        0.0015
BFGS:   15 16:19:22       -5.675857        0.0016
BFGS:   16 16:19:22       -5.675858        0.0016
BFGS:   17 16:19:22       -5.675858        0.0012
BFGS:   18 16:19:22       -5.675858        0.0005
BFGS:   19 16:19:22       -5.675858        0.0001
BFGS:   20 16:19:22       -5.675858        0.0000
BFGS:   21 16:19:22       -5.675858        0.0000
BFGS:   22 16:19:22       -5.675858        0.0000
BFGS:   23 16:19:22       -5.675858        0.0000
Minimization converged after 23 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2458962524445103e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.1310363007707975, 1.365736766710592e-19, -0.01743171977017853], [1.2362512034289775e-19, 4.131073081751566, -1.3613735624822942e-18], [-2.0568022909265804, -5.995007837488919e-19, 2.074234008892515]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 8.62005991e-11  2.24589625e-10 -4.55478744e-11  5.13131360e-30
 -7.08190475e-11  3.21831435e-30]
energy per atom =  -2.837929140086858
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_mC2_12_a, while relaxed is A_cF4_225_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.