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_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_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 10:55:48       -5.330135         0.777040
BFGS:    1 10:55:48       -5.355738         0.760635
BFGS:    2 10:55:48       -5.464412         0.688943
BFGS:    3 10:55:49       -5.562596         0.620742
BFGS:    4 10:55:49       -5.650802         0.555890
BFGS:    5 10:55:49       -5.729523         0.494251
BFGS:    6 10:55:49       -5.799232         0.435694
BFGS:    7 10:55:50       -5.860379         0.380091
BFGS:    8 10:55:50       -5.913400         0.327321
BFGS:    9 10:55:50       -5.958711         0.277267
BFGS:   10 10:55:50       -5.996711         0.229815
BFGS:   11 10:55:50       -6.027781         0.184859
BFGS:   12 10:55:51       -6.052288         0.142292
BFGS:   13 10:55:51       -6.070583         0.102015
BFGS:   14 10:55:51       -6.083002         0.063930
BFGS:   15 10:55:52       -6.089867         0.027946
BFGS:   16 10:55:52       -6.091564         0.001391
BFGS:   17 10:55:52       -6.091568         0.000033
BFGS:   18 10:55:52       -6.091568         0.000000
BFGS:   19 10:55:53       -6.091568         0.000000
Minimization converged after 19 steps.
Maximum force component: 7.334083644015556e-33 eV/Angstrom
Maximum stress component: 4.995512490254167e-14 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([[4.760092433131704, 1.3835596978417387e-32, -2.8528152675918926e-33], [8.758619306251334e-33, 4.760092433131704, 3.2720781923943925e-17], [4.2024902156430214e-33, 3.272078192394394e-17, 4.760092433131704]])
forces =  [[ 2.15832047e-66  1.68047823e-50  2.44469455e-33]
 [-1.22234727e-33  7.33408364e-33 -4.88938910e-33]
 [ 2.44469455e-33 -3.36095646e-50 -4.88938910e-33]
 [ 2.44469455e-33 -4.88938910e-33 -9.16760456e-34]]
stress =  [-4.99551249e-14 -4.99551249e-14 -4.99551249e-14 -1.27943206e-31
  9.06647435e-35  3.60761189e-52]
energy per atom =  -1.522892043474926
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0