Extract the space group generators from Bilbao Crystallographic Server.

[Dan Stromberg]

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also include what you have as input.

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On Thu, Jul 14, 2022 at 1:03 PM hongy... at gmail.com <hongyi.zhao at gmail.com>
wrote:

> I'm trying to extract the matrix data of "ITA-Setting F d -3 m [origin 1]"
> listed here [1], and then building an augmented matrix for each of them by
> adding the last row as "[0, 0, 0, 1]". In short, the following form is the
> ultimate-desired  result:
>
> [[[1, 0, 0, 0], [0, 1, 0, 0], [0, 0,1, 0], [0, 0, 0, 1]],
>    [[-1, 0, 0, 1], [0,-1, 0, 1/2], [0, 0, 1, 1/2], [0, 0, 0, 1]],
>    [[-1, 0, 0, 1/2], [0, 1, 0, 1/2], [0, 0,-1, 1], [0, 0, 0, 1]],
>    [[0, 0, 1, 0], [1, 0, 0, 0], [0, 1, 0, 0], [0, 0, 0, 1]],
>    [[0, 1, 0, 3/4], [1, 0, 0, 1/4], [0, 0, -1, 3/4], [0, 0, 0, 1]],
>    [[-1, 0, 0, 1/4], [0, -1, 0, 1/4], [0, 0, -1, 1/4], [0, 0, 0, 1]],
>    [[1, 0, 0,  0], [0, 1, 0, 1/2], [0, 0, 1, 1/2], [0, 0, 0, 1 ]],
>    [[1, 0, 0, 1/2], [0, 1, 0, 0], [0, 0, 1, 1/2], [0, 0, 0, 1]]]
>
> Any hints/tips/tricks for achieving this aim will be appreciated.
>
> [1]
> https://www.cryst.ehu.es/cgi-bin/cryst/programs//nph-trgen?gnum=227&what=gen&trmat=a-1/8,b-1/8,c-1/8&unconv=F%20d%20-3%20m%20:1&from=ita
>
> Regards,
> Zhao
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