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 17:02:19       -8.113255         6.969736
BFGS:    1 17:02:20       -9.221677         7.868806
BFGS:    2 17:02:20      -10.445798         8.778644
BFGS:    3 17:02:20      -11.770429         9.639981
BFGS:    4 17:02:20      -13.153460        10.269415
BFGS:    5 17:02:20      -14.524405        10.516087
BFGS:    6 17:02:21      -15.898621         9.942269
BFGS:    7 17:02:21      -17.052428         7.819131
BFGS:    8 17:02:21      -17.600765         3.389319
BFGS:    9 17:02:22      -17.673246         1.303595
BFGS:   10 17:02:22      -17.700249         1.439291
BFGS:   11 17:02:23      -17.713479         0.817250
BFGS:   12 17:02:23      -17.718624         0.129551
BFGS:   13 17:02:24      -17.718729         0.022749
BFGS:   14 17:02:24      -17.718735         0.008672
BFGS:   15 17:02:24      -17.718737         0.002439
BFGS:   16 17:02:25      -17.718737         0.000351
BFGS:   17 17:02:25      -17.718737         0.000038
BFGS:   18 17:02:26      -17.718737         0.000005
BFGS:   19 17:02:26      -17.718737         0.000000
BFGS:   20 17:02:27      -17.718737         0.000000
BFGS:   21 17:02:27      -17.718737         0.000000
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.