element(s):
['H', 'V']
AFLOW prototype label:
A2B_cF12_225_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:
['4.2363']
model name:
MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'V']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[4.2363, 0, 0], [0, 4.2363, 0], [0, 0, 4.2363]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:10:41      -41.921305         1.652670
BFGS:    1 17:10:41      -42.035832         1.581408
BFGS:    2 17:10:41      -42.261936         1.434143
BFGS:    3 17:10:41      -42.466317         1.291732
BFGS:    4 17:10:42      -42.649692         1.154044
BFGS:    5 17:10:42      -42.812760         1.020952
BFGS:    6 17:10:42      -42.956201         0.892333
BFGS:    7 17:10:42      -43.080678         0.768066
BFGS:    8 17:10:42      -43.186833         0.648034
BFGS:    9 17:10:42      -43.275294         0.532121
BFGS:   10 17:10:42      -43.346670         0.420217
BFGS:   11 17:10:42      -43.401554         0.312211
BFGS:   12 17:10:43      -43.440523         0.207997
BFGS:   13 17:10:43      -43.464137         0.107472
BFGS:   14 17:10:43      -43.472944         0.010535
BFGS:   15 17:10:43      -43.473031         0.000212
BFGS:   16 17:10:43      -43.473031         0.000000
BFGS:   17 17:10:44      -43.473031         0.000000
Minimization converged after 17 steps.
Maximum force component: 3.8706385340271587e-31 eV/Angstrom
Maximum stress component: 2.4946743487085966e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'V', 'V', 'V', 'V']
basis =  [[2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [5.24147499e-17 1.04829500e-16 1.04829500e-16]
 [5.24147499e-17 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.04829500e-16 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.04829500e-16]]
cellpar =  Cell([[4.47605886431026, 6.184757942681162e-32, -3.244185950763374e-32], [5.486849689562335e-32, 4.47605886431026, 7.141471603366473e-19], [1.251007750214051e-32, 7.141471603366012e-19, 4.47605886431026]])
forces =  [[-7.58610670e-32 -2.71260785e-31  1.01435442e-31]
 [-7.58610670e-32  1.84695837e-31  2.79881361e-31]
 [-4.25281739e-32 -2.41376122e-31 -2.29882021e-32]
 [-2.52870223e-32  2.23560266e-31 -2.50571403e-31]
 [ 6.89646064e-33 -2.59766684e-31 -1.93819279e-31]
 [ 1.46549789e-32  3.67811234e-31 -9.56883914e-32]
 [-5.97693255e-32  3.87063853e-31  2.18387920e-32]
 [-3.73558285e-33 -2.59766684e-31  1.49423314e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.49467435e-12 -2.49467435e-12 -2.49467435e-12 -1.79408099e-28
  4.22962227e-34 -2.02454814e-51]
energy per atom =  -3.622752602477597
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0