element(s):
['Li']
AFLOW prototype label:
A_cP4_213_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0068']
model name:
MEAM_LAMMPS_KimJungLee_2012_LiMg__MO_427397414195_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li']
representative atom coordinates =  [[0.375 0.375 0.375]]
spacegroup =  213
cell =  [[4.0068, 0, 0], [0, 4.0068, 0], [0, 0, 4.0068]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:39:52       -5.184489         0.680989
BFGS:    1 16:39:52       -5.204121         0.664375
BFGS:    2 16:39:52       -5.297554         0.582322
BFGS:    3 16:39:52       -5.379084         0.505611
BFGS:    4 16:39:52       -5.449489         0.433933
BFGS:    5 16:39:52       -5.509501         0.366997
BFGS:    6 16:39:52       -5.559811         0.304528
BFGS:    7 16:39:52       -5.601070         0.246265
BFGS:    8 16:39:52       -5.633889         0.191964
BFGS:    9 16:39:52       -5.658846         0.141393
BFGS:   10 16:39:52       -5.676482         0.094332
BFGS:   11 16:39:52       -5.687310         0.050576
BFGS:   12 16:39:52       -5.691810         0.009929
BFGS:   13 16:39:52       -5.692000         0.000451
BFGS:   14 16:39:52       -5.692001         0.000004
BFGS:   15 16:39:52       -5.692001         0.000000
Minimization converged after 15 steps.
Maximum force component: 4.704715635796424e-32 eV/Angstrom
Maximum stress component: 9.066176550523472e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li', 'Li']
basis =  [[0.375 0.375 0.375]
 [0.125 0.625 0.875]
 [0.625 0.875 0.125]
 [0.875 0.125 0.625]]
cellpar =  Cell([[4.580302540508523, 2.910058427807597e-32, -9.147460787730749e-33], [-4.4275782254672284e-32, 4.580302540508523, 5.923194304560592e-17], [-2.86408747280072e-34, 5.923194304560589e-17, 4.580302540508523]])
forces =  [[ 2.94044727e-34  4.70471564e-33  6.08408388e-50]
 [-1.41141469e-32 -9.12612582e-50 -7.05707345e-33]
 [-2.35350691e-66  4.86726711e-49  3.76377251e-32]
 [-4.53901727e-64  4.70471564e-32 -1.41141469e-32]]
stress =  [-9.06617655e-11 -9.06617655e-11 -9.06617655e-11 -2.26472301e-27
  8.00880267e-59  2.60855724e-58]
energy per atom =  -1.4230001339912612
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0