element(s):
['Li']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3176']
model name:
MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.3176, 0, 0], [0, 4.3176, 0], [0, 0, 4.3176]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:22:38       -6.591934         0.330720
BFGS:    1 15:22:38       -6.596561         0.322196
BFGS:    2 15:22:38       -6.638303         0.235380
BFGS:    3 15:22:38       -6.667473         0.154528
BFGS:    4 15:22:38       -6.684943         0.079322
BFGS:    5 15:22:38       -6.691537         0.009456
BFGS:    6 15:22:38       -6.691637         0.000394
BFGS:    7 15:22:38       -6.691637         0.000002
BFGS:    8 15:22:38       -6.691637         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0855065639385185e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li', 'Li']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.50505295e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.69453898e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.546203941937392, 4.589441445121531e-33, 1.305366614495488e-32], [-4.79574925730824e-33, 4.546203941937392, -1.0053778152195429e-17], [7.673981262821999e-34, -1.0053778152195424e-17, 4.546203941937392]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.08550656e-11 -2.08550656e-11 -2.08550656e-11  1.41538144e-26
 -8.00172395e-42  2.71378140e-57]
energy per atom =  -1.6729092082053367
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0