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_SunRamachandranWick_2018_TiAl__MO_022920256108_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 15:11:42      -13.411637         0.055853
BFGS:    1 15:11:42      -13.411766         0.051713
BFGS:    2 15:11:42      -13.412545         0.000586
BFGS:    3 15:11:42      -13.412545         0.000006
BFGS:    4 15:11:42      -13.412545         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.669502771298073e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.42859472e-49 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([[4.049985799704912, 3.1536932784180977e-38, -3.8746226893735065e-34], [7.21872269570944e-34, 4.049985799704912, -2.2305113145786506e-18], [1.696407819872827e-32, -2.230511314578647e-18, 4.049985799704912]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.66950277e-11 -4.66950277e-11 -4.66950277e-11  2.10852677e-26
 -1.56570791e-35  3.55095593e-51]
energy per atom =  -3.3531363525825277
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0