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 16:43:47       -5.938983         1.018397
BFGS:    1 16:43:47       -5.981992         0.953798
BFGS:    2 16:43:47       -6.111809         0.791804
BFGS:    3 16:43:47       -6.223326         0.705303
BFGS:    4 16:43:47       -6.325644         0.663666
BFGS:    5 16:43:47       -6.423081         0.635409
BFGS:    6 16:43:47       -6.515714         0.596494
BFGS:    7 16:43:47       -6.600842         0.534204
BFGS:    8 16:43:47       -6.674502         0.440483
BFGS:    9 16:43:47       -6.731266         0.312349
BFGS:   10 16:43:47       -6.767343         0.166937
BFGS:   11 16:43:47       -6.781147         0.017485
BFGS:   12 16:43:47       -6.781303         0.000300
BFGS:   13 16:43:47       -6.781303         0.000001
BFGS:   14 16:43:47       -6.781303         0.000000
Minimization converged after 14 steps.
Maximum force component: 7.441893114347656e-32 eV/Angstrom
Maximum stress component: 3.376474471841187e-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([[4.528185731153824, -4.877161281128831e-33, -2.6891398494183632e-33], [-1.3057220527793001e-32, 4.528185731153824, 1.396601709605177e-17], [-6.131219648851136e-33, 1.3966017096051772e-17, 4.528185731153824]])
forces =  [[ 1.86047328e-32 -9.30236639e-33 -2.86907419e-50]
 [-9.30236639e-33  1.00192757e-65  5.52436796e-66]
 [-4.65118320e-33  2.09303244e-32  3.72094656e-32]
 [-2.36632384e-64  7.44189311e-32  1.62791412e-32]]
stress =  [-3.37647447e-12 -3.37647447e-12 -3.37647447e-12  1.16149568e-27
  8.01513299e-34 -1.84963366e-49]
energy per atom =  -0.34687611176846467
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0