{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.059927 0.445991 0.317576 ] [ 0.059927 0.054009 0.317576 ] [ 0.426823 0.75 0.577885 ] [ 0.573177 0.25 0.422115 ] [ 0.940073 0.945991 0.682424 ] [ 0.940073 0.554009 0.682424 ] [ 0.334476 0.75 0.945963 ] [ 0.4386 0.153982 0.911026 ] [ 0.4386 0.346018 0.911026 ] [ 0.300145 0.75 0.151444 ] [ 0.699855 0.25 0.848556 ] [ 0.5614 0.846018 0.088974 ] [ 0.5614 0.653982 0.088974 ] [ 0.665524 0.25 0.054037 ] [ 0.561447 0.25 0.932118 ] [ 0.438553 0.75 0.067882 ] [ 0.06792 0.433521 0.829954 ] [ 0.06792 0.066479 0.829954 ] [ 0.090903 0.75 0.756417 ] [ 0.181636 0.912506 0.505687 ] [ 0.181636 0.587494 0.505687 ] [ 0.380492 0.25 0.571222 ] [ 0.384728 0.399972 0.270354 ] [ 0.384728 0.100028 0.270354 ] [ 0.615272 0.600028 0.729646 ] [ 0.615272 0.899972 0.729646 ] [ 0.619508 0.75 0.428778 ] [ 0.818364 0.412506 0.494313 ] [ 0.818364 0.087494 0.494313 ] [ 0.909097 0.25 0.243583 ] [ 0.93208 0.933521 0.170046 ] [ 0.93208 0.566479 0.170046 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.06067404 "source-unit" "angstrom" } "b" { "source-value" 8.57638749 "source-unit" "angstrom" } "c" { "source-value" 7.97213334 "source-unit" "angstrom" } "beta" { "source-value" 97.40270228 "source-unit" "degree" } }