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_001
==== 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 17:38:50       -5.330135         0.777040
BFGS:    1 17:38:51       -5.355738         0.760635
BFGS:    2 17:38:51       -5.464412         0.688943
BFGS:    3 17:38:51       -5.562596         0.620742
BFGS:    4 17:38:51       -5.650802         0.555890
BFGS:    5 17:38:51       -5.729523         0.494251
BFGS:    6 17:38:51       -5.799232         0.435694
BFGS:    7 17:38:51       -5.860379         0.380091
BFGS:    8 17:38:51       -5.913400         0.327321
BFGS:    9 17:38:51       -5.958711         0.277267
BFGS:   10 17:38:51       -5.996711         0.229815
BFGS:   11 17:38:51       -6.027781         0.184859
BFGS:   12 17:38:51       -6.052288         0.142292
BFGS:   13 17:38:51       -6.070583         0.102015
BFGS:   14 17:38:51       -6.083002         0.063930
BFGS:   15 17:38:51       -6.089867         0.027946
BFGS:   16 17:38:51       -6.091564         0.001391
BFGS:   17 17:38:51       -6.091568         0.000033
BFGS:   18 17:38:51       -6.091568         0.000000
BFGS:   19 17:38:51       -6.091568         0.000000
Minimization converged after 19 steps.
Maximum force component: 2.4446945480051853e-32 eV/Angstrom
Maximum stress component: 4.9939338818829124e-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, -1.7075073025616713e-32, 2.5304747481067096e-35], [-9.490269562893478e-33, 4.760092433131704, 1.8446940182625252e-17], [-2.5696044006765726e-34, 1.8446940182625255e-17, 4.760092433131704]])
forces =  [[ 2.63940163e-67 -1.89480077e-50 -4.88938910e-33]
 [ 1.46681673e-32 -2.44469455e-32 -9.47400386e-50]
 [-1.95575564e-32 -4.88938910e-33  1.46681673e-32]
 [ 4.88938910e-33  1.95575564e-32 -1.95575564e-32]]
stress =  [-4.99393388e-14 -4.99393388e-14 -4.99393388e-14  1.38251838e-32
 -1.35997115e-34  1.19924257e-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