element(s):
['Al', 'Ti']
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:
['4.0145']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ti']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.0145, 0, 0], [0, 4.0145, 0], [0, 0, 4.0145]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:55:48      -15.305308         0.365066
BFGS:    1 15:55:48      -15.310656         0.318724
BFGS:    2 15:55:48      -15.330355         0.090352
BFGS:    3 15:55:48      -15.333040         0.035628
BFGS:    4 15:55:48      -15.333529         0.000399
BFGS:    5 15:55:48      -15.333529         0.000001
BFGS:    6 15:55:48      -15.333529         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.196342126256371e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Ti']
basis =  [[3.6408589e-51 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 1.1062130e-16 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 1.1062130e-16]
 [0.0000000e+00 1.1062130e-16 1.1062130e-16]]
cellpar =  Cell([[4.079145434521223, 5.963642269566065e-37, -1.1723645070066463e-34], [6.148891535614457e-38, 4.079145434521223, 3.3085651984141758e-24], [3.7600446741897544e-34, 3.308565198166383e-24, 4.079145434521223]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.19634213e-13 -4.19634213e-13 -4.19634213e-13  9.33357574e-29
  9.25959717e-35 -1.02958888e-50]
energy per atom =  -3.833382260958821
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0