element(s):
['Li']
AFLOW prototype label:
A_hP2_194_c
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:
['3.0565', '1.639326']
model name:
MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0565, 0, 0], [-1.52825, 2.6470066466671, 0], [0, 0, 5.0106]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:59:23       -3.301836        0.3182
BFGS:    1 14:59:23       -3.305945        0.3021
BFGS:    2 14:59:23       -3.337633        0.1381
BFGS:    3 14:59:23       -3.346761        0.0191
BFGS:    4 14:59:23       -3.346913        0.0038
BFGS:    5 14:59:23       -3.346914        0.0048
BFGS:    6 14:59:23       -3.346915        0.0051
BFGS:    7 14:59:23       -3.346918        0.0054
BFGS:    8 14:59:23       -3.346923        0.0048
BFGS:    9 14:59:23       -3.346928        0.0026
BFGS:   10 14:59:23       -3.346930        0.0008
BFGS:   11 14:59:24       -3.346930        0.0002
BFGS:   12 14:59:24       -3.346930        0.0000
BFGS:   13 14:59:24       -3.346930        0.0000
BFGS:   14 14:59:24       -3.346930        0.0000
BFGS:   15 14:59:24       -3.346930        0.0000
Minimization converged after 15 steps.
Maximum force component: 7.22680000785117e-33 eV/Angstrom
Maximum stress component: 1.807543851755281e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.2163163695450088, -6.570721108616756e-17, 5.366720824309138e-38], [-1.6081581847725044, 2.785411682633716, -1.3442206486190468e-37], [4.770560294361943e-36, 7.960609424990713e-36, 5.243173509651823]])
forces =  [[ 7.22680001e-33 -1.07290155e-33  6.73198991e-34]
 [-7.22680001e-33  1.07290155e-33 -6.73198991e-34]]
stress =  [-1.80754385e-11 -1.80754385e-11 -1.99091564e-12 -1.05498637e-34
  6.09096666e-35  7.02390344e-27]
energy per atom =  -1.6734652111747654
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0