element(s):
['Ga']
AFLOW prototype label:
A_tI2_139_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9197', '1.4818988']
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 =  139
cell =  [[2.9197, 0, 0], [0, 2.9197, 0], [0, 0, 4.3267]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:18:51       -7.992516         6.899323
BFGS:    1 17:18:51       -9.089304         7.779379
BFGS:    2 17:18:51      -10.313313         8.707398
BFGS:    3 17:18:51      -11.643283         9.534930
BFGS:    4 17:18:51      -13.055736        10.171444
BFGS:    5 17:18:51      -14.477148        10.377863
BFGS:    6 17:18:51      -15.790544         9.782990
BFGS:    7 17:18:51      -16.853807         8.024567
BFGS:    8 17:18:51      -17.527695         4.584140
BFGS:    9 17:18:52      -17.709963         1.055532
BFGS:   10 17:18:52      -17.718068         0.312015
BFGS:   11 17:18:52      -17.718655         0.069720
BFGS:   12 17:18:52      -17.718733         0.017449
BFGS:   13 17:18:52      -17.718737         0.002863
BFGS:   14 17:18:52      -17.718737         0.000159
BFGS:   15 17:18:52      -17.718737         0.000005
BFGS:   16 17:18:52      -17.718737         0.000000
BFGS:   17 17:18:52      -17.718737         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.28295131344043e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.372791759886832, 3.8329236488584942e-34, -2.1144763585648393e-33], [5.131589721951732e-34, 2.3727917598868316, -3.585462839660399e-17], [3.0603296822473984e-36, -5.200192248312878e-17, 3.355634287456757]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 8.28295131e-11  8.28295131e-11 -2.59750112e-12 -4.57309972e-28
 -3.87013593e-34 -6.81367082e-50]
energy per atom =  -8.859368395083875
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tI2_139_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.