element(s):
['Al']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.039']
model name:
MEAM_LAMMPS_KimKimJung_2016_AlTi__MO_618133763375_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:11:28      -13.439711         0.034565
BFGS:    1 16:11:28      -13.439760         0.031494
BFGS:    2 16:11:28      -13.440000         0.000233
BFGS:    3 16:11:28      -13.440000         0.000002
BFGS:    4 16:11:28      -13.440000         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.9586121848958525e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.14764779e-51 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.044650777677468, 2.56865937181368e-37, 1.6222661362243996e-32], [1.9788211387995455e-36, 4.044650777677468, 8.142853518133112e-21], [9.780771640546535e-35, 8.142853518147336e-21, 4.044650777677468]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.95861218e-12 -4.95861218e-12 -4.95861218e-12  9.44755536e-33
  5.65849038e-62  3.24350735e-64]
energy per atom =  -3.3600000001260284
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0