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 14:24:04       -5.330135        0.7770
BFGS:    1 14:24:04       -5.355738        0.7606
BFGS:    2 14:24:04       -5.464412        0.6889
BFGS:    3 14:24:04       -5.562596        0.6207
BFGS:    4 14:24:04       -5.650802        0.5559
BFGS:    5 14:24:04       -5.729523        0.4943
BFGS:    6 14:24:04       -5.799232        0.4357
BFGS:    7 14:24:04       -5.860379        0.3801
BFGS:    8 14:24:04       -5.913400        0.3273
BFGS:    9 14:24:04       -5.958711        0.2773
BFGS:   10 14:24:04       -5.996711        0.2298
BFGS:   11 14:24:04       -6.027781        0.1849
BFGS:   12 14:24:04       -6.052288        0.1423
BFGS:   13 14:24:04       -6.070583        0.1020
BFGS:   14 14:24:04       -6.083002        0.0639
BFGS:   15 14:24:04       -6.089867        0.0279
BFGS:   16 14:24:04       -6.091564        0.0014
BFGS:   17 14:24:04       -6.091568        0.0000
BFGS:   18 14:24:04       -6.091568        0.0000
BFGS:   19 14:24:04       -6.091568        0.0000
Minimization converged after 19 steps.
Maximum force component: 1.9557556384041483e-32 eV/Angstrom
Maximum stress component: 4.9943214973872146e-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, -1.713508465998253e-32, 9.766954816350326e-36], [-8.835744208162857e-33, 4.760092433131704, 1.767196403384508e-17], [2.4245716326298325e-34, 1.7671964033845087e-17, 4.760092433131704]])
forces =  [[ 1.75288853e-65 -9.77877819e-33 -1.22234727e-32]
 [ 1.95575564e-32 -4.88938910e-33  4.88938910e-33]
 [-1.74043638e-65  9.77877819e-33  1.46681673e-32]
 [-7.33408364e-33  2.44469455e-33 -4.88938910e-33]]
stress =  [-4.99432150e-14 -4.99432150e-14 -4.99432150e-14 -2.19434757e-31
 -1.08476262e-63 -2.28037515e-62]
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