#!/usr/bin/python

import System
from math import sqrt
import numpy as np

# a is the lattice parameter for A15 cell.
a=4.7089800000
m1=8.4590334e-26  # V atomic mass in kg
m2=4.6637061e-26  # Si atomic mass in kg

cell=[
  a,0,0,
  0,a,0,
  0,0,a,
]

atoms=[
  [ "Si1", m2 ],
  [ "Si2", m2 ],
  [ "V1", m1 ],
  [ "V2", m1 ],
  [ "V3", m1 ],
  [ "V4", m1 ],
  [ "V5", m1 ],
  [ "V6", m1 ]
]

sites=[
  [ 0.0, 0.0, 0.0,          0],
  [ 0.5*a, 0.5*a, 0.5*a,    1],
  [ 0.25*a, 0.50*a, 0.00*a, 2],
  [ 0.75*a, 0.50*a, 0.00*a, 3],
  [ 0.00*a, 0.25*a, 0.50*a, 4],
  [ 0.00*a, 0.75*a, 0.50*a, 5],
  [ 0.50*a, 0.00*a, 0.25*a, 6],
  [ 0.50*a, 0.00*a, 0.75*a, 7]
]

bonds= [[0, 1, 2.3544900000000002, 2.3544900000000002, 2.3544900000000002, [0.72929431449873483, -0.46251223356756688, -0.46251223356756688], [-0.46251223356756688, 0.72929431449873483, -0.46251223356756688], [-0.46251223356756688, -0.46251223356756688, 0.72929431449873483]], [0, 2, 1.1772450000000001, 2.3544900000000002, 0.0, [4.9977382348505586, 13.278694328465066, -0.0], [13.278694328465066, 29.239295978173097, -0.0], [-0.0, -0.0, -0.27268462162753965]], [0, 3, 3.5317349999999998, 2.3544900000000002, 0.0, [1.4002223899379924, 3.8134612119053153, -0.0], [3.8134612119053153, -0.99650031846632547, -0.0], [-0.0, -0.0, 0.28488185029846408]], [0, 4, 0.0, 1.1772450000000001, 2.3544900000000002, [-0.27268462162753965, -0.0, -0.0], [-0.0, 4.9977382348505586, 13.278694328465066], [-0.0, 13.278694328465066, 29.239295978173097]], [0, 5, 0.0, 3.5317349999999998, 2.3544900000000002, [0.28488185029846408, -0.0, -0.0], [-0.0, 1.4002223899379924, 3.8134612119053153], [-0.0, 3.8134612119053153, -0.99650031846632547]], [0, 6, 2.3544900000000002, 0.0, 1.1772450000000001, [29.239295978173097, -0.0, 13.278694328465066], [-0.0, -0.27268462162753965, -0.0], [13.278694328465066, -0.0, 4.9977382348505586]], [0, 7, 2.3544900000000002, 0.0, 3.5317349999999998, [-0.99650031846632547, -0.0, 3.8134612119053153], [-0.0, 0.28488185029846408, -0.0], [3.8134612119053153, -0.0, 1.4002223899379924]], [1, 0, -2.3544900000000002, -2.3544900000000002, -2.3544900000000002, [0.72929431449873483, -0.46251223356756688, -0.46251223356756688], [-0.46251223356756688, 0.72929431449873483, -0.46251223356756688], [-0.46251223356756688, -0.46251223356756688, 0.72929431449873483]], [1, 2, -1.1772450000000001, 0.0, -2.3544900000000002, [4.9977382348505586, -0.0, 13.278694328465066], [-0.0, -0.27268462162753965, -0.0], [13.278694328465066, -0.0, 29.239295978173097]], [1, 3, 1.1772450000000001, 0.0, -2.3544900000000002, [4.9977382348505586, -0.0, -13.278694328465066], [-0.0, -0.27268462162753965, -0.0], [-13.278694328465066, -0.0, 29.239295978173097]], [1, 4, -2.3544900000000002, -1.1772450000000001, 0.0, [29.239295978173097, 13.278694328465066, -0.0], [13.278694328465066, 4.9977382348505586, -0.0], [-0.0, -0.0, -0.27268462162753965]], [1, 5, -2.3544900000000002, 1.1772450000000001, 0.0, [29.239295978173097, -13.278694328465066, -0.0], [-13.278694328465066, 4.9977382348505586, -0.0], [-0.0, -0.0, -0.27268462162753965]], [1, 6, 0.0, -2.3544900000000002, -1.1772450000000001, [-0.27268462162753965, -0.0, -0.0], [-0.0, 29.239295978173097, 13.278694328465066], [-0.0, 13.278694328465066, 4.9977382348505586]], [1, 7, 0.0, -2.3544900000000002, 1.1772450000000001, [-0.27268462162753965, -0.0, -0.0], [-0.0, 29.239295978173097, -13.278694328465066], [-0.0, -13.278694328465066, 4.9977382348505586]], [2, 0, -1.1772450000000001, -2.3544900000000002, 0.0, [4.9977382348505586, 13.278694328465066, -0.0], [13.278694328465066, 29.239295978173097, -0.0], [-0.0, -0.0, -0.27268462162753965]], [2, 1, 1.1772450000000001, 0.0, 2.3544900000000002, [4.9977382348505586, -0.0, 13.278694328465066], [-0.0, -0.27268462162753965, -0.0], [13.278694328465066, -0.0, 29.239295978173097]], [2, 3, 2.3544900000000002, 0.0, 0.0, [17.540621706004401, -0.0, -0.0], [-0.0, -15.098229194759297, -0.0], [-0.0, -0.0, -7.0151740164773848]], [2, 4, -1.1772450000000001, -1.1772450000000001, 2.3544900000000002, [5.1227580736633422, 3.4251423200673483, 0.0534600347147327], [3.4251423200673483, 5.1227580736633422, 0.0534600347147327], [0.0534600347147327, 0.0534600347147327, 5.0160131771600893]], [2, 5, -1.1772450000000001, 1.1772450000000001, 2.3544900000000002, [5.1227580736633422, -3.4251423200673483, 0.0534600347147327], [-3.4251423200673483, 5.1227580736633422, -0.0534600347147327], [0.0534600347147327, -0.0534600347147327, 5.0160131771600893]], [2, 6, 1.1772450000000001, -2.3544900000000002, 1.1772450000000001, [5.1227580736633422, 0.0534600347147327, 3.4251423200673483], [0.0534600347147327, 5.0160131771600893, 0.0534600347147327], [3.4251423200673483, 0.0534600347147327, 5.1227580736633422]], [2, 7, 1.1772450000000001, -2.3544900000000002, 3.5317349999999998, [1.3971422887536811, 0.30315284606275295, 0.93140394623142075], [0.30315284606275295, 0.62246593218296431, -5.9338724697635294], [0.93140394623142075, -5.9338724697635294, 3.0227611488651811]], [3, 0, -3.5317349999999998, -2.3544900000000002, 0.0, [1.4002223899379924, 3.8134612119053153, -0.0], [3.8134612119053153, -0.99650031846632547, -0.0], [-0.0, -0.0, 0.28488185029846408]], [3, 1, -1.1772450000000001, 0.0, 2.3544900000000002, [4.9977382348505586, -0.0, -13.278694328465066], [-0.0, -0.27268462162753965, -0.0], [-13.278694328465066, -0.0, 29.239295978173097]], [3, 2, -2.3544900000000002, 0.0, 0.0, [17.540621706004401, -0.0, -0.0], [-0.0, -15.098229194759297, -0.0], [-0.0, -0.0, -7.0151740164773848]], [3, 4, -3.5317349999999998, -1.1772450000000001, 2.3544900000000002, [3.0227611488651811, 0.93140394623142075, -5.9338724697635294], [0.93140394623142075, 1.3971422887536811, 0.30315284606275295], [-5.9338724697635294, 0.30315284606275295, 0.62246593218296431]], [3, 5, -3.5317349999999998, 1.1772450000000001, 2.3544900000000002, [3.0227611488651811, -0.93140394623142075, -5.9338724697635294], [-0.93140394623142075, 1.3971422887536811, -0.30315284606275295], [-5.9338724697635294, -0.30315284606275295, 0.62246593218296431]], [3, 6, -1.1772450000000001, -2.3544900000000002, 1.1772450000000001, [5.1227580736633422, -0.0534600347147327, -3.4251423200673483], [-0.0534600347147327, 5.0160131771600893, 0.0534600347147327], [-3.4251423200673483, 0.0534600347147327, 5.1227580736633422]], [3, 7, -1.1772450000000001, -2.3544900000000002, 3.5317349999999998, [1.3971422887536811, -0.30315284606275295, -0.93140394623142075], [-0.30315284606275295, 0.62246593218296431, -5.9338724697635294], [-0.93140394623142075, -5.9338724697635294, 3.0227611488651811]], [4, 0, 0.0, -1.1772450000000001, -2.3544900000000002, [-0.27268462162753965, -0.0, -0.0], [-0.0, 4.9977382348505586, 13.278694328465066], [-0.0, 13.278694328465066, 29.239295978173097]], [4, 1, 2.3544900000000002, 1.1772450000000001, 0.0, [29.239295978173097, 13.278694328465066, -0.0], [13.278694328465066, 4.9977382348505586, -0.0], [-0.0, -0.0, -0.27268462162753965]], [4, 2, 1.1772450000000001, 1.1772450000000001, -2.3544900000000002, [5.1227580736633422, 3.4251423200673483, 0.0534600347147327], [3.4251423200673483, 5.1227580736633422, 0.0534600347147327], [0.0534600347147327, 0.0534600347147327, 5.0160131771600893]], [4, 3, 3.5317349999999998, 1.1772450000000001, -2.3544900000000002, [3.0227611488651811, 0.93140394623142075, -5.9338724697635294], [0.93140394623142075, 1.3971422887536811, 0.30315284606275295], [-5.9338724697635294, 0.30315284606275295, 0.62246593218296431]], [4, 5, 0.0, 2.3544900000000002, 0.0, [-7.0151740164773848, -0.0, -0.0], [-0.0, 17.540621706004401, -0.0], [-0.0, -0.0, -15.098229194759297]], [4, 6, 2.3544900000000002, -1.1772450000000001, -1.1772450000000001, [5.0160131771600893, 0.0534600347147327, 0.0534600347147327], [0.0534600347147327, 5.1227580736633422, 3.4251423200673483], [0.0534600347147327, 3.4251423200673483, 5.1227580736633422]], [4, 7, 2.3544900000000002, -1.1772450000000001, 1.1772450000000001, [5.0160131771600893, 0.0534600347147327, -0.0534600347147327], [0.0534600347147327, 5.1227580736633422, -3.4251423200673483], [-0.0534600347147327, -3.4251423200673483, 5.1227580736633422]], [5, 0, 0.0, -3.5317349999999998, -2.3544900000000002, [0.28488185029846408, -0.0, -0.0], [-0.0, 1.4002223899379924, 3.8134612119053153], [-0.0, 3.8134612119053153, -0.99650031846632547]], [5, 1, 2.3544900000000002, -1.1772450000000001, 0.0, [29.239295978173097, -13.278694328465066, -0.0], [-13.278694328465066, 4.9977382348505586, -0.0], [-0.0, -0.0, -0.27268462162753965]], [5, 2, 1.1772450000000001, -1.1772450000000001, -2.3544900000000002, [5.1227580736633422, -3.4251423200673483, 0.0534600347147327], [-3.4251423200673483, 5.1227580736633422, -0.0534600347147327], [0.0534600347147327, -0.0534600347147327, 5.0160131771600893]], [5, 3, 3.5317349999999998, -1.1772450000000001, -2.3544900000000002, [3.0227611488651811, -0.93140394623142075, -5.9338724697635294], [-0.93140394623142075, 1.3971422887536811, -0.30315284606275295], [-5.9338724697635294, -0.30315284606275295, 0.62246593218296431]], [5, 4, 0.0, -2.3544900000000002, 0.0, [-7.0151740164773848, -0.0, -0.0], [-0.0, 17.540621706004401, -0.0], [-0.0, -0.0, -15.098229194759297]], [5, 6, 2.3544900000000002, -3.5317349999999998, -1.1772450000000001, [0.62246593218296431, -5.9338724697635294, 0.30315284606275295], [-5.9338724697635294, 3.0227611488651811, 0.93140394623142075], [0.30315284606275295, 0.93140394623142075, 1.3971422887536811]], [5, 7, 2.3544900000000002, -3.5317349999999998, 1.1772450000000001, [0.62246593218296431, -5.9338724697635294, -0.30315284606275295], [-5.9338724697635294, 3.0227611488651811, -0.93140394623142075], [-0.30315284606275295, -0.93140394623142075, 1.3971422887536811]], [6, 0, -2.3544900000000002, 0.0, -1.1772450000000001, [29.239295978173097, -0.0, 13.278694328465066], [-0.0, -0.27268462162753965, -0.0], [13.278694328465066, -0.0, 4.9977382348505586]], [6, 1, 0.0, 2.3544900000000002, 1.1772450000000001, [-0.27268462162753965, -0.0, -0.0], [-0.0, 29.239295978173097, 13.278694328465066], [-0.0, 13.278694328465066, 4.9977382348505586]], [6, 2, -1.1772450000000001, 2.3544900000000002, -1.1772450000000001, [5.1227580736633422, 0.0534600347147327, 3.4251423200673483], [0.0534600347147327, 5.0160131771600893, 0.0534600347147327], [3.4251423200673483, 0.0534600347147327, 5.1227580736633422]], [6, 3, 1.1772450000000001, 2.3544900000000002, -1.1772450000000001, [5.1227580736633422, -0.0534600347147327, -3.4251423200673483], [-0.0534600347147327, 5.0160131771600893, 0.0534600347147327], [-3.4251423200673483, 0.0534600347147327, 5.1227580736633422]], [6, 4, -2.3544900000000002, 1.1772450000000001, 1.1772450000000001, [5.0160131771600893, 0.0534600347147327, 0.0534600347147327], [0.0534600347147327, 5.1227580736633422, 3.4251423200673483], [0.0534600347147327, 3.4251423200673483, 5.1227580736633422]], [6, 5, -2.3544900000000002, 3.5317349999999998, 1.1772450000000001, [0.62246593218296431, -5.9338724697635294, 0.30315284606275295], [-5.9338724697635294, 3.0227611488651811, 0.93140394623142075], [0.30315284606275295, 0.93140394623142075, 1.3971422887536811]], [6, 7, 0.0, 0.0, 2.3544900000000002, [-15.098229194759297, -0.0, -0.0], [-0.0, -7.0151740164773848, -0.0], [-0.0, -0.0, 17.540621706004401]], [7, 0, -2.3544900000000002, 0.0, -3.5317349999999998, [-0.99650031846632547, -0.0, 3.8134612119053153], [-0.0, 0.28488185029846408, -0.0], [3.8134612119053153, -0.0, 1.4002223899379924]], [7, 1, 0.0, 2.3544900000000002, -1.1772450000000001, [-0.27268462162753965, -0.0, -0.0], [-0.0, 29.239295978173097, -13.278694328465066], [-0.0, -13.278694328465066, 4.9977382348505586]], [7, 2, -1.1772450000000001, 2.3544900000000002, -3.5317349999999998, [1.3971422887536811, 0.30315284606275295, 0.93140394623142075], [0.30315284606275295, 0.62246593218296431, -5.9338724697635294], [0.93140394623142075, -5.9338724697635294, 3.0227611488651811]], [7, 3, 1.1772450000000001, 2.3544900000000002, -3.5317349999999998, [1.3971422887536811, -0.30315284606275295, -0.93140394623142075], [-0.30315284606275295, 0.62246593218296431, -5.9338724697635294], [-0.93140394623142075, -5.9338724697635294, 3.0227611488651811]], [7, 4, -2.3544900000000002, 1.1772450000000001, -1.1772450000000001, [5.0160131771600893, 0.0534600347147327, -0.0534600347147327], [0.0534600347147327, 5.1227580736633422, -3.4251423200673483], [-0.0534600347147327, -3.4251423200673483, 5.1227580736633422]], [7, 5, -2.3544900000000002, 3.5317349999999998, -1.1772450000000001, [0.62246593218296431, -5.9338724697635294, -0.30315284606275295], [-5.9338724697635294, 3.0227611488651811, -0.93140394623142075], [-0.30315284606275295, -0.93140394623142075, 1.3971422887536811]], [7, 6, 0.0, 0.0, -2.3544900000000002, [-15.098229194759297, -0.0, -0.0], [-0.0, -7.0151740164773848, -0.0], [-0.0, -0.0, 17.540621706004401]], [0, 0, -4.7089800000000004, 0.0, 0.0, [3.5196744785587866, -0.0, -0.0], [-0.0, 0.48304243470229341, -0.0], [-0.0, -0.0, -0.5881996930473683]], [0, 1, -2.3544900000000002, 2.3544900000000002, 2.3544900000000002, [0.72929431449873483, 0.46251223356756688, 0.46251223356756688], [0.46251223356756688, 0.72929431449873483, -0.46251223356756688], [0.46251223356756688, -0.46251223356756688, 0.72929431449873483]], [0, 2, -3.5317349999999998, 2.3544900000000002, 0.0, [1.4002223899379924, -3.8134612119053153, -0.0], [-3.8134612119053153, -0.99650031846632547, -0.0], [-0.0, -0.0, 0.28488185029846408]], [0, 3, -1.1772450000000001, 2.3544900000000002, 0.0, [4.9977382348505586, -13.278694328465066, -0.0], [-13.278694328465066, 29.239295978173097, 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4.7089800000000004, [0.00068429419741831987, -0.0, -0.0], [-0.0, 0.00088339018225849493, -0.0], [-0.0, -0.0, 0.00088339018225849493]]]

System.write(cell,atoms,sites,bonds,"identity")
