element(s):
['Li']
AFLOW prototype label:
A_hR3_166_ac
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0652442', '7.313745', '0.77781729']
model name:
Sim_LAMMPS_MEAM_CuiGaoCui_2012_LiSi__SM_562938628131_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li', 'Li']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.77781729]]
spacegroup =  166
cell =  [[3.0652, 0, 0], [-1.5326, 2.6545410676801, 0], [0, 0, 22.4184]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:06:34      -14.714455         0.030915
BFGS:    1 15:06:34      -14.714481         0.030692
BFGS:    2 15:06:34      -14.716121         0.005909
BFGS:    3 15:06:34      -14.716146         0.002588
BFGS:    4 15:06:34      -14.716147         0.002493
BFGS:    5 15:06:34      -14.716148         0.002151
BFGS:    6 15:06:34      -14.716151         0.002309
BFGS:    7 15:06:34      -14.716157         0.002152
BFGS:    8 15:06:34      -14.716164         0.001386
BFGS:    9 15:06:34      -14.716168         0.000620
BFGS:   10 15:06:34      -14.716168         0.000170
BFGS:   11 15:06:34      -14.716168         0.000016
BFGS:   12 15:06:34      -14.716168         0.000015
BFGS:   13 15:06:34      -14.716168         0.000015
BFGS:   14 15:06:34      -14.716168         0.000014
BFGS:   15 15:06:34      -14.716168         0.000011
BFGS:   16 15:06:34      -14.716168         0.000007
BFGS:   17 15:06:34      -14.716168         0.000004
BFGS:   18 15:06:34      -14.716168         0.000001
BFGS:   19 15:06:34      -14.716168         0.000000
BFGS:   20 15:06:34      -14.716168         0.000000
BFGS:   21 15:06:34      -14.716168         0.000000
Minimization converged after 21 steps.
Maximum force component: 2.7737056806457583e-10 eV/Angstrom
Maximum stress component: 3.102173781470448e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li']
basis =  [[6.84775091e-34 0.00000000e+00 0.00000000e+00]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]
 [1.12690939e-16 5.89850301e-31 7.77814417e-01]
 [3.21900509e-17 1.68859106e-31 2.22185583e-01]
 [6.66666667e-01 3.33333333e-01 1.11147750e-01]
 [6.66666667e-01 3.33333333e-01 5.55518916e-01]
 [3.33333333e-01 6.66666667e-01 4.44481084e-01]
 [3.33333333e-01 6.66666667e-01 8.88852250e-01]]
cellpar =  Cell([[3.0765091224942385, -1.5713391353497374e-18, -1.6646968888599188e-17], [-1.5382545612471197, 2.6643350550545812, 1.675902569933889e-17], [-5.67347823468367e-16, 7.116144532122092e-17, 22.58439847276614]])
forces =  [[ 1.94252829e-49 -2.43647926e-50 -7.73261676e-33]
 [ 9.95545748e-49 -1.24869562e-49 -3.96296609e-32]
 [ 1.94252829e-49 -2.43647926e-50 -7.73261676e-33]
 [ 6.96788928e-27 -8.73970167e-28 -2.77370568e-10]
 [-6.96788770e-27  8.73968343e-28  2.77370568e-10]
 [ 6.96788876e-27 -8.73970167e-28 -2.77370568e-10]
 [-6.96788718e-27  8.73970167e-28  2.77370568e-10]
 [ 6.96788928e-27 -8.73970167e-28 -2.77370568e-10]
 [-6.96788612e-27  8.73968343e-28  2.77370568e-10]]
stress =  [-3.10217378e-11 -3.10217378e-11  5.56772744e-12  2.98805099e-27
 -5.78586375e-27 -1.80380472e-27]
energy per atom =  -1.635129825754714
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0