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_ShimLeeFleury_2011_VH__MO_072444764353_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 16:09:20      -41.921305         1.652670
BFGS:    1 16:09:20      -42.035832         1.581408
BFGS:    2 16:09:20      -42.261936         1.434143
BFGS:    3 16:09:20      -42.466317         1.291732
BFGS:    4 16:09:20      -42.649692         1.154044
BFGS:    5 16:09:20      -42.812760         1.020952
BFGS:    6 16:09:20      -42.956201         0.892333
BFGS:    7 16:09:20      -43.080678         0.768066
BFGS:    8 16:09:20      -43.186833         0.648034
BFGS:    9 16:09:21      -43.275294         0.532121
BFGS:   10 16:09:21      -43.346670         0.420217
BFGS:   11 16:09:21      -43.401554         0.312211
BFGS:   12 16:09:21      -43.440522         0.207997
BFGS:   13 16:09:21      -43.464137         0.107473
BFGS:   14 16:09:21      -43.472944         0.010535
BFGS:   15 16:09:21      -43.473031         0.000212
BFGS:   16 16:09:21      -43.473031         0.000000
BFGS:   17 16:09:21      -43.473031         0.000000
Minimization converged after 17 steps.
Maximum force component: 3.6091477296927783e-31 eV/Angstrom
Maximum stress component: 2.4964129456876538e-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([[4.476058858010808, -1.5575359688169824e-32, 1.4517903168555347e-33], [-1.7106754671322805e-32, 4.476058858010808, 9.20991976144128e-18], [-2.0456474872490935e-33, 9.209919761441282e-18, 4.476058858010808]])
forces =  [[ 2.75858425e-32 -3.21834829e-31 -3.90799436e-32]
 [ 1.13791600e-31 -7.70104770e-32 -1.49423314e-31]
 [ 5.97693255e-32 -3.60914773e-31  1.14941010e-32]
 [-3.67811234e-32  1.83905617e-32 -1.24136291e-31]
 [-1.60917415e-31 -1.70112696e-31 -1.33331572e-31]
 [-3.21834829e-32 -4.59764042e-32  1.83905617e-32]
 [ 9.06215678e-65 -3.33328930e-32  8.04587073e-32]
 [-1.18389241e-31 -1.19538651e-31  1.52871544e-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 =  [-2.49641295e-12 -2.49641295e-12 -2.49641295e-12 -8.45480217e-30
  2.56340744e-35  3.28205817e-53]
energy per atom =  -3.622752600317391
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0