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:
EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005
==== 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 10:07:21      -13.438903         0.067442
BFGS:    1 10:07:21      -13.439089         0.061405
BFGS:    2 10:07:21      -13.440000         0.000790
BFGS:    3 10:07:21      -13.440000         0.000009
BFGS:    4 10:07:21      -13.440000         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.700733967733049e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.53508688e-41]]
cellpar =  Cell([[4.049999419190972, -1.1535127968670248e-34, 8.840925333029092e-38], [-1.2630012631846793e-34, 4.049999419190972, -3.164371493274584e-24], [-1.097653201408578e-35, -3.1643714932800946e-24, 4.049999419190972]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.70073397e-11 -8.70073397e-11 -8.70073397e-11  2.56947941e-27
  3.13111700e-35 -3.62245032e-52]
energy per atom =  -3.2987663104806284
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0