element(s):
['Al', 'Li']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0255']
model name:
MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Li']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.0255, 0, 0], [0, 4.0255, 0], [0, 0, 4.0255]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 21:27:31      -11.850312         0.014406
BFGS:    1 21:27:31      -11.850321         0.013480
BFGS:    2 21:27:31      -11.850381         0.000046
BFGS:    3 21:27:31      -11.850381         0.000000
BFGS:    4 21:27:31      -11.850381         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.845651787189314e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Li']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.10319019e-16 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.10319019e-16]
 [0.00000000e+00 1.10319019e-16 1.10319019e-16]]
cellpar =  Cell([[4.022287539154494, 8.936706180049108e-34, -2.4645664760610233e-35], [1.0213959094489777e-33, 4.022287539154494, 2.1098352539510852e-22], [-3.588105839286993e-34, 2.1098352539536389e-22, 4.022287539154494]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.84565179e-14  9.84565179e-14  9.84565179e-14  9.30103946e-31
 -6.34881959e-35 -2.47870408e-51]
energy per atom =  -2.9625953697013943
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0