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_FuemmelerVita_2023_Li__MO_386038428339_000
==== 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 12:14:06       -6.030822         1.245578
BFGS:    1 12:14:06       -6.095522         1.178355
BFGS:    2 12:14:06       -6.257965         0.987364
BFGS:    3 12:14:06       -6.391852         0.798771
BFGS:    4 12:14:06       -6.498056         0.619359
BFGS:    5 12:14:06       -6.578436         0.455563
BFGS:    6 12:14:06       -6.635825         0.313572
BFGS:    7 12:14:06       -6.673764         0.196664
BFGS:    8 12:14:06       -6.696167         0.105686
BFGS:    9 12:14:06       -6.706068         0.027954
BFGS:   10 12:14:06       -6.706879         0.002289
BFGS:   11 12:14:06       -6.706884         0.000055
BFGS:   12 12:14:06       -6.706884         0.000000
BFGS:   13 12:14:06       -6.706884         0.000000
Minimization converged after 13 steps.
Maximum force component: 2.2828493992058759e-32 eV/Angstrom
Maximum stress component: 2.7935415594805287e-13 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([[4.444961911501795, -1.962619633656466e-32, 1.7128435012409987e-33], [4.856603544477598e-33, 4.444961911501795, -1.2377313061342574e-17], [1.2936884151465015e-34, -1.2377313061342575e-17, 4.444961911501795]])
forces =  [[ 1.82627952e-32  9.13139760e-33  1.82627952e-32]
 [-4.56569880e-33 -9.13139760e-33  2.54270270e-50]
 [-1.36970964e-32 -9.13139760e-33  2.28284940e-32]
 [ 9.44551205e-66  9.13139760e-33 -1.82627952e-32]]
stress =  [-2.79354156e-13 -2.79354156e-13 -2.79354156e-13 -6.76934448e-30
 -6.27806411e-63  6.60597171e-62]
energy per atom =  -1.6767210885574257
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0