96 lines
4.2 KiB
Plaintext
96 lines
4.2 KiB
Plaintext
17
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Coordinates from ORCA-job orca E -448.595341262540
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Si 0.000000 0.000000 0.000000
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C 1.089797 1.089797 1.089797
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H 1.736724 1.736724 0.486804
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H 1.736724 0.486804 1.736724
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H 0.486804 1.736724 1.736724
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C -1.089797 -1.089797 1.089797
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H -1.736724 -0.486804 1.736724
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H -1.736724 -1.736724 0.486804
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H -0.486804 -1.736724 1.736724
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C 1.089797 -1.089797 -1.089797
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H 0.486804 -1.736724 -1.736724
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H 1.736724 -0.486804 -1.736724
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H 1.736724 -1.736724 -0.486804
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C -1.089797 1.089797 -1.089797
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H -1.736724 0.486804 -1.736724
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H -1.736724 1.736724 -0.486804
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H -0.486804 1.736724 -1.736724
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17
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Coordinates from ORCA-job orca E -448.596853103982
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Si 0.000000 -0.000000 0.000000
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C 1.091819 1.091819 1.091819
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H 1.746332 1.746332 0.480377
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H 1.746332 0.480377 1.746332
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H 0.480377 1.746332 1.746332
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C -1.091819 -1.091819 1.091819
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H -1.746332 -0.480377 1.746332
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H -1.746332 -1.746332 0.480377
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H -0.480377 -1.746332 1.746332
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C 1.091819 -1.091819 -1.091819
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H 0.480377 -1.746332 -1.746332
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H 1.746332 -0.480377 -1.746332
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H 1.746332 -1.746332 -0.480377
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C -1.091819 1.091819 -1.091819
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H -1.746332 0.480377 -1.746332
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H -1.746332 1.746332 -0.480377
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H -0.480377 1.746332 -1.746332
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17
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Coordinates from ORCA-job orca E -448.596874200582
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Si 0.000000 -0.000000 -0.000000
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C 1.093002 1.093002 1.093002
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H 1.747862 1.747862 0.481115
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H 1.747862 0.481115 1.747862
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H 0.481115 1.747862 1.747862
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C -1.093002 -1.093002 1.093002
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H -1.747862 -0.481115 1.747862
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H -1.747862 -1.747862 0.481115
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H -0.481115 -1.747862 1.747862
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C 1.093002 -1.093002 -1.093002
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H 0.481115 -1.747862 -1.747862
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H 1.747862 -0.481115 -1.747862
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H 1.747862 -1.747862 -0.481115
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C -1.093002 1.093002 -1.093002
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H -1.747862 0.481115 -1.747862
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H -1.747862 1.747862 -0.481115
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H -0.481115 1.747862 -1.747862
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17
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Coordinates from ORCA-job orca E -448.596882041137
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Si 0.000000 -0.000000 -0.000000
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C 1.094239 1.094239 1.094239
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H 1.749037 1.749037 0.482109
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H 1.749037 0.482109 1.749037
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H 0.482109 1.749037 1.749037
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C -1.094239 -1.094239 1.094239
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H -1.749037 -0.482109 1.749037
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H -1.749037 -1.749037 0.482109
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H -0.482109 -1.749037 1.749037
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C 1.094239 -1.094239 -1.094239
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H 0.482109 -1.749037 -1.749037
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H 1.749037 -0.482109 -1.749037
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H 1.749037 -1.749037 -0.482109
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C -1.094239 1.094239 -1.094239
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H -1.749037 0.482109 -1.749037
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H -1.749037 1.749037 -0.482109
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H -0.482109 1.749037 -1.749037
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17
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Coordinates from ORCA-job orca E -448.596882601830
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Si 0.000000 -0.000000 -0.000000
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C 1.094446 1.094446 1.094446
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H 1.749078 1.749078 0.482207
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H 1.749078 0.482207 1.749078
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H 0.482206 1.749078 1.749078
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C -1.094446 -1.094446 1.094446
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H -1.749078 -0.482207 1.749078
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H -1.749078 -1.749078 0.482207
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H -0.482207 -1.749078 1.749078
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C 1.094446 -1.094446 -1.094446
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H 0.482207 -1.749078 -1.749078
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H 1.749078 -0.482207 -1.749078
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H 1.749078 -1.749078 -0.482207
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C -1.094446 1.094446 -1.094446
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H -1.749078 0.482207 -1.749078
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H -1.749078 1.749078 -0.482207
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H -0.482207 1.749078 -1.749078
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