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:
SNAP_ZuoChenLi_2019_Li__MO_732106099012_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 17:39:12       -6.226891         0.850926
BFGS:    1 17:39:12       -6.257551         0.830863
BFGS:    2 17:39:12       -6.376896         0.763475
BFGS:    3 17:39:12       -6.486922         0.702744
BFGS:    4 17:39:12       -6.586992         0.627708
BFGS:    5 17:39:12       -6.673806         0.524444
BFGS:    6 17:39:12       -6.742697         0.388986
BFGS:    7 17:39:12       -6.789208         0.227950
BFGS:    8 17:39:12       -6.810974         0.070206
BFGS:    9 17:39:12       -6.813652         0.010375
BFGS:   10 17:39:12       -6.813713         0.000255
BFGS:   11 17:39:12       -6.813713         0.000001
BFGS:   12 17:39:12       -6.813713         0.000000
Minimization converged after 12 steps.
Maximum force component: 6.772842400902421e-33 eV/Angstrom
Maximum stress component: 6.990234229614205e-12 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([[4.39582604019464, -8.89543234318497e-33, -1.4335174284375055e-33], [-9.189249282427614e-33, 4.39582604019464, -7.935146797579064e-19], [-3.8248959076537974e-33, -7.935146797579125e-19, 4.39582604019464]])
forces =  [[ 6.77284240e-33  2.25761413e-33  1.12880707e-33]
 [-2.82201767e-33 -6.11301473e-52  3.38642120e-33]
 [-7.90636596e-67  2.25761413e-33 -4.51522827e-33]
 [ 4.51522827e-33 -4.51522827e-33  8.15068631e-52]]
stress =  [-6.99023423e-12 -6.99023423e-12 -6.99023423e-12  7.82471219e-28
 -1.06313451e-34  7.33155660e-51]
energy per atom =  -0.3633555080873372
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0