element(s):
['Al', 'V']
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:
['3.9835']
model name:
MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'V']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.9835, 0, 0], [0, 3.9835, 0], [0, 0, 3.9835]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:27:17      -16.702088         0.264276
BFGS:    1 10:27:18      -16.704846         0.222823
BFGS:    2 10:27:18      -16.711802         0.007909
BFGS:    3 10:27:18      -16.711812         0.000249
BFGS:    4 10:27:18      -16.711812         0.000000
BFGS:    5 10:27:18      -16.711812         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.727633327229898e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'V']
basis =  [[0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.  0.  0. ]]
cellpar =  Cell([[4.0082377102860285, -9.35592898760001e-35, -7.1082833505997234e-37], [4.044206263368696e-36, 4.0082377102860285, -6.755628465603675e-25], [-1.1747945948040298e-36, -6.7556284655530305e-25, 4.0082377102860285]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.72763333e-13 -6.72763333e-13 -6.72763333e-13 -2.18172037e-30
 -2.55736234e-34 -2.75897946e-51]
energy per atom =  -4.177952891638796
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0