element(s):
['Al', 'V']
AFLOW prototype label:
AB3_cP8_223_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8568']
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.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[4.8568, 0, 0], [0, 4.8568, 0], [0, 0, 4.8568]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:20:46      -41.040294         1.285023
BFGS:    1 12:20:46      -41.107059         1.140207
BFGS:    2 12:20:46      -41.249535         0.763813
BFGS:    3 12:20:46      -41.337466         0.412683
BFGS:    4 12:20:46      -41.374535         0.085450
BFGS:    5 12:20:46      -41.376278         0.003772
BFGS:    6 12:20:46      -41.376281         0.000037
BFGS:    7 12:20:46      -41.376281         0.000000
BFGS:    8 12:20:46      -41.376281         0.000000
Minimization converged after 8 steps.
Maximum force component: 3.0613387126188617e-32 eV/Angstrom
Maximum stress component: 3.5550871211394824e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'V', 'V', 'V', 'V', 'V', 'V']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 1.93860608e-35]
 [6.88731234e-50 5.00000000e-01 2.50000000e-01]
 [8.83977874e-36 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.967306056388115, 3.685028360203283e-33, 6.427180887196384e-33], [-1.967868946739341e-33, 4.967306056388115, 6.148273300322731e-19], [-5.345050741582425e-33, 6.148273300322805e-19, 4.967306056388115]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.51922665e-32  1.59444725e-33  8.76945985e-34]
 [-5.10223119e-33 -3.18889449e-34 -1.59444725e-33]
 [ 1.27555780e-33 -3.02944977e-32  1.27555780e-33]
 [-1.27555780e-33 -3.06133871e-32 -1.33036692e-33]
 [ 6.37778898e-34  1.27555780e-33 -3.06133871e-32]
 [-1.27555780e-33 -1.27555780e-33 -3.06133871e-32]]
stress =  [-3.55508712e-15 -3.55508712e-15 -3.55508712e-15 -5.69882196e-31
 -1.17081939e-35 -1.73693626e-51]
energy per atom =  -5.172035135148653
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0