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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 16:19:34       -8.113255        6.9697
BFGS:    1 16:19:34       -9.221677        7.8688
BFGS:    2 16:19:34      -10.445798        8.7786
BFGS:    3 16:19:34      -11.770429        9.6400
BFGS:    4 16:19:34      -13.153460       10.2694
BFGS:    5 16:19:34      -14.524405       10.5161
BFGS:    6 16:19:34      -15.898621        9.9423
BFGS:    7 16:19:34      -17.052428        7.8191
BFGS:    8 16:19:34      -17.600765        3.3893
BFGS:    9 16:19:34      -17.673246        1.3036
BFGS:   10 16:19:34      -17.700249        1.4393
BFGS:   11 16:19:34      -17.713479        0.8172
BFGS:   12 16:19:34      -17.718624        0.1296
BFGS:   13 16:19:34      -17.718729        0.0227
BFGS:   14 16:19:34      -17.718735        0.0087
BFGS:   15 16:19:34      -17.718737        0.0024
BFGS:   16 16:19:34      -17.718737        0.0004
BFGS:   17 16:19:35      -17.718737        0.0000
BFGS:   18 16:19:35      -17.718737        0.0000
BFGS:   19 16:19:35      -17.718737        0.0000
BFGS:   20 16:19:35      -17.718737        0.0000
BFGS:   21 16:19:35      -17.718737        0.0000
Minimization converged after 21 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7954701732498124e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.3556060416894735, -8.488125187284983e-20, -0.01376821587882354], [-1.3158857442705206e-19, 3.3556342874494285, 8.08404699199404e-18], [-1.6709189129115842, 4.656671620738853e-18, 1.6846871288929235]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.18965048e-10 -5.44659279e-11  1.79547017e-10  1.78433581e-26
 -2.31964185e-11 -2.30799367e-27]
energy per atom =  -8.859368395083834
===============================================
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.