element(s):
['Li']
AFLOW prototype label:
A_cI16_220_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.8469', '0.24794728']
model name:
Sim_LAMMPS_MEAM_CuiGaoCui_2012_LiSi__SM_562938628131_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li']
representative atom coordinates =  [[0.24794728 0.24794728 0.24794728]]
spacegroup =  220
cell =  [[6.8469, 0, 0], [0, 6.8469, 0], [0, 0, 6.8469]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:41:38      -26.347240        0.0424
BFGS:    1 17:41:38      -26.347324        0.0422
BFGS:    2 17:41:38      -26.352941        0.0261
BFGS:    3 17:41:38      -26.356017        0.0104
BFGS:    4 17:41:38      -26.356696        0.0014
BFGS:    5 17:41:38      -26.356696        0.0014
BFGS:    6 17:41:38      -26.356697        0.0014
BFGS:    7 17:41:38      -26.356701        0.0015
BFGS:    8 17:41:38      -26.356708        0.0019
BFGS:    9 17:41:38      -26.356724        0.0022
BFGS:   10 17:41:38      -26.356746        0.0020
BFGS:   11 17:41:38      -26.356763        0.0011
BFGS:   12 17:41:38      -26.356768        0.0002
BFGS:   13 17:41:38      -26.356769        0.0000
BFGS:   14 17:41:38      -26.356769        0.0000
BFGS:   15 17:41:38      -26.356769        0.0000
BFGS:   16 17:41:38      -26.356769        0.0000
Minimization converged after 16 steps.
Maximum force component: 6.033242605392389e-10 eV/Angstrom
Maximum stress component: 1.8257051808306434e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li']
basis =  [[2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [3.96782596e-10 5.00000000e-01 1.00000000e+00]
 [1.00000000e+00 3.96782500e-10 5.00000000e-01]
 [5.00000000e-01 1.00000000e+00 3.96782632e-10]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [1.00000000e+00 1.00000000e+00 1.00000000e+00]
 [5.00000000e-01 3.96782503e-10 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.96782632e-10]
 [3.96782596e-10 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[6.90450697980638, 4.658827191276305e-34, -4.764313272584051e-35], [-3.963937481944112e-32, 6.904506979806379, 2.6798449425752203e-18], [6.558696068959827e-33, 2.6798449425752195e-18, 6.90450697980638]])
forces =  [[ 6.03324261e-10  6.03324261e-10  6.03324261e-10]
 [-6.03324261e-10 -6.03324261e-10  6.03324261e-10]
 [-6.03324261e-10  6.03324261e-10 -6.03324261e-10]
 [ 6.03324261e-10 -6.03324261e-10 -6.03324261e-10]
 [ 6.03324261e-10  6.03324261e-10  6.03324261e-10]
 [-6.03324261e-10 -6.03324261e-10  6.03324261e-10]
 [ 6.03324261e-10 -6.03324261e-10 -6.03324261e-10]
 [-6.03324261e-10  6.03324261e-10 -6.03324261e-10]
 [ 6.03324261e-10  6.03324261e-10  6.03324261e-10]
 [-6.03324261e-10 -6.03324261e-10  6.03324261e-10]
 [-6.03324261e-10  6.03324261e-10 -6.03324261e-10]
 [ 6.03324261e-10 -6.03324261e-10 -6.03324261e-10]
 [ 6.03324261e-10  6.03324261e-10  6.03324261e-10]
 [-6.03324261e-10 -6.03324261e-10  6.03324261e-10]
 [ 6.03324261e-10 -6.03324261e-10 -6.03324261e-10]
 [-6.03324261e-10  6.03324261e-10 -6.03324261e-10]]
stress =  [-1.82570518e-10 -1.82570518e-10 -1.82570518e-10  3.37574049e-27
  3.69982565e-59 -3.42668212e-58]
energy per atom =  -1.6472980624679214
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_cI16_220_c, while relaxed is A_cI2_229_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.