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_2019quadratic_Li__MO_041269750353_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 10:57:56       -5.938983         1.018397
BFGS:    1 10:57:56       -5.981992         0.953798
BFGS:    2 10:57:57       -6.111809         0.791804
BFGS:    3 10:57:57       -6.223326         0.705303
BFGS:    4 10:57:57       -6.325644         0.663666
BFGS:    5 10:57:57       -6.423081         0.635409
BFGS:    6 10:57:57       -6.515714         0.596494
BFGS:    7 10:57:57       -6.600842         0.534204
BFGS:    8 10:57:57       -6.674502         0.440483
BFGS:    9 10:57:57       -6.731266         0.312349
BFGS:   10 10:57:57       -6.767343         0.166937
BFGS:   11 10:57:57       -6.781147         0.017485
BFGS:   12 10:57:57       -6.781303         0.000300
BFGS:   13 10:57:57       -6.781303         0.000001
BFGS:   14 10:57:57       -6.781303         0.000000
Minimization converged after 14 steps.
Maximum force component: 4.186064876820557e-32 eV/Angstrom
Maximum stress component: 3.3762688041933782e-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([[4.528185731153825, -3.8394624673014914e-33, 4.475664695212212e-34], [2.841607181782114e-32, 4.528185731153825, -1.3461330513404125e-17], [-2.8874314085816532e-33, -1.3461330513404126e-17, 4.528185731153825]])
forces =  [[-3.72094656e-32 -2.79070992e-32 -1.86047328e-32]
 [-4.18606488e-32  1.86047328e-32  3.72094656e-32]
 [ 3.25582824e-32  2.32559160e-32 -6.91348787e-50]
 [ 3.72094656e-32 -2.76539515e-50  9.30236639e-33]]
stress =  [-3.37626880e-12 -3.37626880e-12 -3.37626880e-12 -3.28311218e-29
  1.20226995e-33  1.58483813e-50]
energy per atom =  -0.34687611176846334
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0