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import numpy as np
from ase import Atoms
p = np.array(
[
[0.27802511, -0.07732213, 13.46649107],
[0.91833251, -1.02565868, 13.41456626],
[0.91865997, 0.87076761, 13.41228287],
[1.85572027, 2.37336781, 13.56440907],
[3.13987926, 2.3633134, 13.4327577],
[1.77566079, 2.37150862, 14.66528237],
[4.52240322, 2.35264513, 13.37435864],
[5.16892729, 1.40357034, 13.42661052],
[5.15567324, 3.30068395, 13.4305779],
[6.10183518, -0.0738656, 13.27945071],
[7.3856151, -0.07438536, 13.40814585],
[6.01881192, -0.08627583, 12.1789428],
]
)
c = np.array([[8.490373, 0.0, 0.0], [0.0, 4.901919, 0.0], [0.0, 0.0, 26.93236]])
W = Atoms('4(OH2)', positions=p, cell=c, pbc=[1, 1, 0])
W.write('WL.traj')
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