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:
MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_001
==== 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 15:58:49      -14.856386        0.3197
BFGS:    1 15:58:49      -14.860586        0.3161
BFGS:    2 15:58:49      -14.903443        0.2773
BFGS:    3 15:58:49      -14.940721        0.2397
BFGS:    4 15:58:49      -14.972593        0.2033
BFGS:    5 15:58:49      -14.999226        0.1680
BFGS:    6 15:58:49      -15.020784        0.1338
BFGS:    7 15:58:49      -15.037428        0.1007
BFGS:    8 15:58:49      -15.049314        0.0686
BFGS:    9 15:58:49      -15.056597        0.0376
BFGS:   10 15:58:49      -15.059430        0.0076
BFGS:   11 15:58:49      -15.059481        0.0032
BFGS:   12 15:58:49      -15.059481        0.0031
BFGS:   13 15:58:49      -15.059484        0.0024
BFGS:   14 15:58:49      -15.059488        0.0023
BFGS:   15 15:58:49      -15.059494        0.0022
BFGS:   16 15:58:49      -15.059497        0.0016
BFGS:   17 15:58:49      -15.059498        0.0018
BFGS:   18 15:58:49      -15.059499        0.0020
BFGS:   19 15:58:49      -15.059500        0.0022
BFGS:   20 15:58:49      -15.059501        0.0025
BFGS:   21 15:58:49      -15.059505        0.0024
BFGS:   22 15:58:49      -15.059510        0.0018
BFGS:   23 15:58:49      -15.059514        0.0007
BFGS:   24 15:58:49      -15.059515        0.0002
BFGS:   25 15:58:49      -15.059515        0.0000
BFGS:   26 15:58:49      -15.059515        0.0000
BFGS:   27 15:58:49      -15.059515        0.0000
BFGS:   28 15:58:49      -15.059515        0.0000
Minimization converged after 28 steps.
Maximum force component: 6.353205753532101e-10 eV/Angstrom
Maximum stress component: 9.344868199466886e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li']
basis =  [[0.00000000e+00 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 7.78967014e-31 7.77795393e-01]
 [3.21900509e-17 1.94741753e-31 2.22204607e-01]
 [6.66666667e-01 3.33333333e-01 1.11128727e-01]
 [6.66666667e-01 3.33333333e-01 5.55537940e-01]
 [3.33333333e-01 6.66666667e-01 4.44462060e-01]
 [3.33333333e-01 6.66666667e-01 8.88871273e-01]]
cellpar =  Cell([[3.2157585165399922, 6.955588921673121e-17, -2.443771503571543e-16], [-1.6078792582699968, 2.7849285677597924, 2.4583624682708977e-16], [-2.249943610251687e-15, 1.042311322250769e-15, 23.603818113055944]])
forces =  [[ 1.10103567e-33 -1.90704971e-33 -3.83878534e-32]
 [ 5.50517833e-34 -9.53524857e-34  8.08165335e-33]
 [ 1.10103567e-33 -1.90704971e-33 -3.83878534e-32]
 [ 6.05595014e-26 -2.80548626e-26 -6.35320575e-10]
 [-6.05595036e-26  2.80548597e-26  6.35320575e-10]
 [ 6.05595058e-26 -2.80548645e-26 -6.35320575e-10]
 [-6.05595033e-26  2.80548597e-26  6.35320575e-10]
 [ 6.05595030e-26 -2.80548645e-26 -6.35320575e-10]
 [-6.05595047e-26  2.80548597e-26  6.35320575e-10]]
stress =  [ 9.34486820e-11  9.34486820e-11  5.33747491e-11  1.01257032e-25
 -1.73670537e-25  4.17560296e-26]
energy per atom =  -1.6732794469604935
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0