SCSD model generated from *precomputed* using D_{2h} symmetry, available as *pyrene*

Table 1; Model atom positions

x | y | z | at |

3.5174 | -0.0 | -0.0 | C |

2.8304 | -1.2084 | -0.0 | C |

1.4258 | -1.2315 | -0.0 | C |

0.6908 | -2.4582 | -0.0 | C |

-0.6908 | -2.4582 | 0.0 | C |

-1.4258 | -1.2315 | 0.0 | C |

-2.8304 | -1.2084 | 0.0 | C |

-3.5174 | 0.0 | 0.0 | C |

-2.8304 | 1.2084 | 0.0 | C |

-1.4258 | 1.2315 | 0.0 | C |

-0.6908 | 2.4582 | 0.0 | C |

0.6908 | 2.4582 | -0.0 | C |

1.4258 | 1.2315 | -0.0 | C |

2.8304 | 1.2084 | -0.0 | C |

0.7172 | -0.0 | -0.0 | C |

-0.7172 | 0.0 | 0.0 | C |