"2"^^ .
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"This is a test calculation for glucose"^^ .
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"scidata_example_scf"^^ .
"Chemical Semantics"^^ .
"Glucose vib ele"^^ .
"2020-12-14 19:27:59"^^ .
"https://stuchalk.github.io/scidata/examples/scf.jsonld"^^ .
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"Neil Ostlund"^^ .
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"ostlund@hyper.com"^^ .
"Chemical Semantics"^^ .
"Stuart Chalk"^^ .
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"schalk@unf.edu"^^ .
"University of North Florida"^^ .
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"quantum mechanics" .
"scf" .
"ab initio" .
"single" .
"gc:UHF" .
"Little Endian"^^ .
"1"^^ .
"2"^^ .
"4"^^ .
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"4 GB"^^ .
"x86_64"^^ .
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"10240K"^^ .
"256K"^^ .
"32K"^^ .
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"32-bit, 64-bit"^^ .
"GenuineIntel"^^ .
"8"^^ .
"1201.621 MHz"^^ .
"63"^^ .
"Intel(R) Xeon(R) CPU E5-1620 v3 @ 3.50GHz"^^ .
"6"^^ .
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"Wavefunction" .
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"system/1/"^^ .
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"Number of orbitals"^^ .
"count"^^ .
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"60"^^ .
"Alpha orbitals" .
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"Molecular orbital coefficients"^^ .
"ao1"^^ .
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_:b0 .
"Basisset contributions"^^ .
"relative amount"^^ .
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_:b1 .
"Molecular orbital coefficients"^^ .
"ao10"^^ .