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 14:24:21       -6.226891        0.8509
BFGS:    1 14:24:21       -6.257551        0.8309
BFGS:    2 14:24:21       -6.376896        0.7635
BFGS:    3 14:24:21       -6.486922        0.7027
BFGS:    4 14:24:21       -6.586992        0.6277
BFGS:    5 14:24:21       -6.673806        0.5244
BFGS:    6 14:24:21       -6.742697        0.3890
BFGS:    7 14:24:21       -6.789208        0.2280
BFGS:    8 14:24:21       -6.810974        0.0702
BFGS:    9 14:24:21       -6.813652        0.0104
BFGS:   10 14:24:21       -6.813713        0.0003
BFGS:   11 14:24:21       -6.813713        0.0000
BFGS:   12 14:24:21       -6.813713        0.0000
Minimization converged after 12 steps.
Maximum force component: 1.8060913069073126e-32 eV/Angstrom
Maximum stress component: 6.9901964343864774e-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([[4.395826040194641, -2.213442000328212e-33, 6.471816338747712e-35], [2.956237108175324e-32, 4.395826040194641, 1.1354304729756848e-17], [-1.484903534138708e-34, 1.135430472975685e-17, 4.395826040194641]])
forces =  [[ 4.51522827e-33 -2.27356492e-66  6.64760794e-68]
 [-1.80609131e-32 -4.51522827e-33 -2.25761413e-33]
 [ 9.03045653e-33 -1.12880707e-33  4.51522827e-33]
 [ 4.51522827e-33  5.64403533e-33  1.45783970e-50]]
stress =  [-6.99019643e-12 -6.99019643e-12 -6.99019643e-12 -3.14095844e-30
 -1.06313451e-34 -3.01103625e-52]
energy per atom =  -0.36335550808733674
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0