from genice2.cell import cellvectors
import genice2.lattices
import numpy as np
desc = {
    "ref": {
        "IRR": "Engel 2018"
    },
    "usage": "No options available.",
    "brief": "Hypothetical zeolitic ice",
    "test": ({"args": "",
             "options": "-r 2 2 2"},)
}


class Lattice(genice2.lattices.Lattice):
    def __init__(self):
        self.cell = cellvectors(
            a=27.93136,
            b=20.18404,
            c=20.09682,
            A=119.913,
            B=94.6346,
            C=89.1277
        )
        self.waters = np.array([
            [0.403037, -0.660640, -0.459061],
            [0.155877, -0.696274, -0.398722],
            [0.258304, -0.297176, -0.011833],
            [-0.294395, -0.733330, 0.078227],
            [-0.488930, -0.007468, 0.320497],
            [-0.111747, -0.029366, 0.102710],
            [-0.449962, -0.406914, -0.491794],
            [-0.228082, -0.430007, -0.328526],
            [-0.127744, -0.370257, 0.148383],
            [-0.466785, -0.740767, 0.312366],
            [0.138964, -0.525730, -0.108949],
            [0.266739, -0.622358, 0.382746],
            [0.444787, -0.229899, -0.266055],
            [0.066870, 0.059465, -0.249668],
            [-0.394361, -0.148298, 0.078450],
            [-0.491884, 0.040358, 0.013550],
            [-0.207898, 0.226856, -0.331811],
            [-0.122046, -0.577750, 0.289018],
            [0.066892, -0.044223, 0.187337],
            [0.339300, 0.170086, 0.022423],
            [0.094456, -0.474480, -0.461000],
            [-0.027913, -0.422170, -0.124877],
            [0.169298, -0.155896, -0.145105],
            [-0.147552, -0.673384, -0.035288],
            [0.305451, -0.363038, 0.351443],
            [-0.049830, 0.103623, -0.039256],
            [-0.389033, 0.147731, -0.391056],
            [-0.022028, -0.199723, -0.202456],
            [0.400276, -0.429226, -0.178974],
            [-0.266247, -0.244448, 0.343329],
            [0.174306, 0.124989, 0.127595],
            [0.250335, 0.096488, -0.249555],
            [-0.068290, -0.579514, -0.424972],
            [-0.244492, -0.007524, 0.288895],
            [-0.088993, -0.288772, -0.484713],
            [0.305186, 0.118654, -0.476459],
            [-0.294600, -0.214788, -0.390389],
            [-0.213703, -0.285483, -0.033122],
            [-0.274788, -0.721979, 0.347748],
            [0.280037, -0.194593, -0.356618],
            [0.163258, -0.507817, 0.150713],
            [0.341721, -0.147543, 0.276926],
            [-0.086058, 0.000542, -0.441688],
            [-0.372355, 0.044622, -0.180110],
            [0.441969, -0.570495, 0.215228],
            [-0.388964, -0.577265, -0.358524],
            [-0.000428, 0.147912, 0.445433],
            [-0.389403, -0.481810, 0.163932],
            [-0.433385, -0.443849, -0.070341],
            [0.088365, -0.222817, -0.484588],
            [0.057881, -0.647728, 0.240493],
            [0.057905, -0.266503, 0.239491],
        ])
        self.coord = 'relative'

d9f53fe42a27debc3d02c46ceac305fdb56cb9dc
<mask token>


class Lattice(genice2.lattices.Lattice):
    <mask token>

<mask token>


class Lattice(genice2.lattices.Lattice):

    def __init__(self):
        self.cell = cellvectors(a=27.93136, b=20.18404, c=20.09682, A=
            119.913, B=94.6346, C=89.1277)
        self.waters = np.array([[0.403037, -0.66064, -0.459061], [0.155877,
            -0.696274, -0.398722], [0.258304, -0.297176, -0.011833], [-
            0.294395, -0.73333, 0.078227], [-0.48893, -0.007468, 0.320497],
            [-0.111747, -0.029366, 0.10271], [-0.449962, -0.406914, -
            0.491794], [-0.228082, -0.430007, -0.328526], [-0.127744, -
            0.370257, 0.148383], [-0.466785, -0.740767, 0.312366], [
            0.138964, -0.52573, -0.108949], [0.266739, -0.622358, 0.382746],
            [0.444787, -0.229899, -0.266055], [0.06687, 0.059465, -0.249668
            ], [-0.394361, -0.148298, 0.07845], [-0.491884, 0.040358, 
            0.01355], [-0.207898, 0.226856, -0.331811], [-0.122046, -
            0.57775, 0.289018], [0.066892, -0.044223, 0.187337], [0.3393, 
            0.170086, 0.022423], [0.094456, -0.47448, -0.461], [-0.027913, 
            -0.42217, -0.124877], [0.169298, -0.155896, -0.145105], [-
            0.147552, -0.673384, -0.035288], [0.305451, -0.363038, 0.351443
            ], [-0.04983, 0.103623, -0.039256], [-0.389033, 0.147731, -
            0.391056], [-0.022028, -0.199723, -0.202456], [0.400276, -
            0.429226, -0.178974], [-0.266247, -0.244448, 0.343329], [
            0.174306, 0.124989, 0.127595], [0.250335, 0.096488, -0.249555],
            [-0.06829, -0.579514, -0.424972], [-0.244492, -0.007524, 
            0.288895], [-0.088993, -0.288772, -0.484713], [0.305186, 
            0.118654, -0.476459], [-0.2946, -0.214788, -0.390389], [-
            0.213703, -0.285483, -0.033122], [-0.274788, -0.721979, 
            0.347748], [0.280037, -0.194593, -0.356618], [0.163258, -
            0.507817, 0.150713], [0.341721, -0.147543, 0.276926], [-
            0.086058, 0.000542, -0.441688], [-0.372355, 0.044622, -0.18011],
            [0.441969, -0.570495, 0.215228], [-0.388964, -0.577265, -
            0.358524], [-0.000428, 0.147912, 0.445433], [-0.389403, -
            0.48181, 0.163932], [-0.433385, -0.443849, -0.070341], [
            0.088365, -0.222817, -0.484588], [0.057881, -0.647728, 0.240493
            ], [0.057905, -0.266503, 0.239491]])
        self.coord = 'relative'

<mask token>
desc = {'ref': {'IRR': 'Engel 2018'}, 'usage': 'No options available.',
    'brief': 'Hypothetical zeolitic ice', 'test': ({'args': '', 'options':
    '-r 2 2 2'},)}


class Lattice(genice2.lattices.Lattice):

    def __init__(self):
        self.cell = cellvectors(a=27.93136, b=20.18404, c=20.09682, A=
            119.913, B=94.6346, C=89.1277)
        self.waters = np.array([[0.403037, -0.66064, -0.459061], [0.155877,
            -0.696274, -0.398722], [0.258304, -0.297176, -0.011833], [-
            0.294395, -0.73333, 0.078227], [-0.48893, -0.007468, 0.320497],
            [-0.111747, -0.029366, 0.10271], [-0.449962, -0.406914, -
            0.491794], [-0.228082, -0.430007, -0.328526], [-0.127744, -
            0.370257, 0.148383], [-0.466785, -0.740767, 0.312366], [
            0.138964, -0.52573, -0.108949], [0.266739, -0.622358, 0.382746],
            [0.444787, -0.229899, -0.266055], [0.06687, 0.059465, -0.249668
            ], [-0.394361, -0.148298, 0.07845], [-0.491884, 0.040358, 
            0.01355], [-0.207898, 0.226856, -0.331811], [-0.122046, -
            0.57775, 0.289018], [0.066892, -0.044223, 0.187337], [0.3393, 
            0.170086, 0.022423], [0.094456, -0.47448, -0.461], [-0.027913, 
            -0.42217, -0.124877], [0.169298, -0.155896, -0.145105], [-
            0.147552, -0.673384, -0.035288], [0.305451, -0.363038, 0.351443
            ], [-0.04983, 0.103623, -0.039256], [-0.389033, 0.147731, -
            0.391056], [-0.022028, -0.199723, -0.202456], [0.400276, -
            0.429226, -0.178974], [-0.266247, -0.244448, 0.343329], [
            0.174306, 0.124989, 0.127595], [0.250335, 0.096488, -0.249555],
            [-0.06829, -0.579514, -0.424972], [-0.244492, -0.007524, 
            0.288895], [-0.088993, -0.288772, -0.484713], [0.305186, 
            0.118654, -0.476459], [-0.2946, -0.214788, -0.390389], [-
            0.213703, -0.285483, -0.033122], [-0.274788, -0.721979, 
            0.347748], [0.280037, -0.194593, -0.356618], [0.163258, -
            0.507817, 0.150713], [0.341721, -0.147543, 0.276926], [-
            0.086058, 0.000542, -0.441688], [-0.372355, 0.044622, -0.18011],
            [0.441969, -0.570495, 0.215228], [-0.388964, -0.577265, -
            0.358524], [-0.000428, 0.147912, 0.445433], [-0.389403, -
            0.48181, 0.163932], [-0.433385, -0.443849, -0.070341], [
            0.088365, -0.222817, -0.484588], [0.057881, -0.647728, 0.240493
            ], [0.057905, -0.266503, 0.239491]])
        self.coord = 'relative'

from genice2.cell import cellvectors
import genice2.lattices
import numpy as np
desc = {'ref': {'IRR': 'Engel 2018'}, 'usage': 'No options available.',
    'brief': 'Hypothetical zeolitic ice', 'test': ({'args': '', 'options':
    '-r 2 2 2'},)}


class Lattice(genice2.lattices.Lattice):

    def __init__(self):
        self.cell = cellvectors(a=27.93136, b=20.18404, c=20.09682, A=
            119.913, B=94.6346, C=89.1277)
        self.waters = np.array([[0.403037, -0.66064, -0.459061], [0.155877,
            -0.696274, -0.398722], [0.258304, -0.297176, -0.011833], [-
            0.294395, -0.73333, 0.078227], [-0.48893, -0.007468, 0.320497],
            [-0.111747, -0.029366, 0.10271], [-0.449962, -0.406914, -
            0.491794], [-0.228082, -0.430007, -0.328526], [-0.127744, -
            0.370257, 0.148383], [-0.466785, -0.740767, 0.312366], [
            0.138964, -0.52573, -0.108949], [0.266739, -0.622358, 0.382746],
            [0.444787, -0.229899, -0.266055], [0.06687, 0.059465, -0.249668
            ], [-0.394361, -0.148298, 0.07845], [-0.491884, 0.040358, 
            0.01355], [-0.207898, 0.226856, -0.331811], [-0.122046, -
            0.57775, 0.289018], [0.066892, -0.044223, 0.187337], [0.3393, 
            0.170086, 0.022423], [0.094456, -0.47448, -0.461], [-0.027913, 
            -0.42217, -0.124877], [0.169298, -0.155896, -0.145105], [-
            0.147552, -0.673384, -0.035288], [0.305451, -0.363038, 0.351443
            ], [-0.04983, 0.103623, -0.039256], [-0.389033, 0.147731, -
            0.391056], [-0.022028, -0.199723, -0.202456], [0.400276, -
            0.429226, -0.178974], [-0.266247, -0.244448, 0.343329], [
            0.174306, 0.124989, 0.127595], [0.250335, 0.096488, -0.249555],
            [-0.06829, -0.579514, -0.424972], [-0.244492, -0.007524, 
            0.288895], [-0.088993, -0.288772, -0.484713], [0.305186, 
            0.118654, -0.476459], [-0.2946, -0.214788, -0.390389], [-
            0.213703, -0.285483, -0.033122], [-0.274788, -0.721979, 
            0.347748], [0.280037, -0.194593, -0.356618], [0.163258, -
            0.507817, 0.150713], [0.341721, -0.147543, 0.276926], [-
            0.086058, 0.000542, -0.441688], [-0.372355, 0.044622, -0.18011],
            [0.441969, -0.570495, 0.215228], [-0.388964, -0.577265, -
            0.358524], [-0.000428, 0.147912, 0.445433], [-0.389403, -
            0.48181, 0.163932], [-0.433385, -0.443849, -0.070341], [
            0.088365, -0.222817, -0.484588], [0.057881, -0.647728, 0.240493
            ], [0.057905, -0.266503, 0.239491]])
        self.coord = 'relative'

from genice2.cell import cellvectors
import genice2.lattices
import numpy as np
desc = {
    "ref": {
        "IRR": "Engel 2018"
    },
    "usage": "No options available.",
    "brief": "Hypothetical zeolitic ice",
    "test": ({"args": "",
             "options": "-r 2 2 2"},)
}


class Lattice(genice2.lattices.Lattice):
    def __init__(self):
        self.cell = cellvectors(
            a=27.93136,
            b=20.18404,
            c=20.09682,
            A=119.913,
            B=94.6346,
            C=89.1277
        )
        self.waters = np.array([
            [0.403037, -0.660640, -0.459061],
            [0.155877, -0.696274, -0.398722],
            [0.258304, -0.297176, -0.011833],
            [-0.294395, -0.733330, 0.078227],
            [-0.488930, -0.007468, 0.320497],
            [-0.111747, -0.029366, 0.102710],
            [-0.449962, -0.406914, -0.491794],
            [-0.228082, -0.430007, -0.328526],
            [-0.127744, -0.370257, 0.148383],
            [-0.466785, -0.740767, 0.312366],
            [0.138964, -0.525730, -0.108949],
            [0.266739, -0.622358, 0.382746],
            [0.444787, -0.229899, -0.266055],
            [0.066870, 0.059465, -0.249668],
            [-0.394361, -0.148298, 0.078450],
            [-0.491884, 0.040358, 0.013550],
            [-0.207898, 0.226856, -0.331811],
            [-0.122046, -0.577750, 0.289018],
            [0.066892, -0.044223, 0.187337],
            [0.339300, 0.170086, 0.022423],
            [0.094456, -0.474480, -0.461000],
            [-0.027913, -0.422170, -0.124877],
            [0.169298, -0.155896, -0.145105],
            [-0.147552, -0.673384, -0.035288],
            [0.305451, -0.363038, 0.351443],
            [-0.049830, 0.103623, -0.039256],
            [-0.389033, 0.147731, -0.391056],
            [-0.022028, -0.199723, -0.202456],
            [0.400276, -0.429226, -0.178974],
            [-0.266247, -0.244448, 0.343329],
            [0.174306, 0.124989, 0.127595],
            [0.250335, 0.096488, -0.249555],
            [-0.068290, -0.579514, -0.424972],
            [-0.244492, -0.007524, 0.288895],
            [-0.088993, -0.288772, -0.484713],
            [0.305186, 0.118654, -0.476459],
            [-0.294600, -0.214788, -0.390389],
            [-0.213703, -0.285483, -0.033122],
            [-0.274788, -0.721979, 0.347748],
            [0.280037, -0.194593, -0.356618],
            [0.163258, -0.507817, 0.150713],
            [0.341721, -0.147543, 0.276926],
            [-0.086058, 0.000542, -0.441688],
            [-0.372355, 0.044622, -0.180110],
            [0.441969, -0.570495, 0.215228],
            [-0.388964, -0.577265, -0.358524],
            [-0.000428, 0.147912, 0.445433],
            [-0.389403, -0.481810, 0.163932],
            [-0.433385, -0.443849, -0.070341],
            [0.088365, -0.222817, -0.484588],
            [0.057881, -0.647728, 0.240493],
            [0.057905, -0.266503, 0.239491],
        ])
        self.coord = 'relative'
