{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.391902 0.735673 0.888365 ] [ 0.608098 0.235673 0.611635 ] [ 0.608098 0.264327 0.111635 ] [ 0.391902 0.764327 0.388365 ] [ 0.665422 0.753936 0.691491 ] [ 0.334578 0.253936 0.808509 ] [ 0.334578 0.246064 0.308509 ] [ 0.665422 0.746064 0.191491 ] [ 0.037056 0.009208 0.758692 ] [ 0.962944 0.509208 0.741308 ] [ 0.962944 0.990792 0.241308 ] [ 0.037056 0.490792 0.258692 ] [ 0.359772 0.745908 0.605034 ] [ 0.640228 0.245908 0.894966 ] [ 0.640228 0.254092 0.394966 ] [ 0.359772 0.754092 0.105034 ] [ 0.763063 0.753931 0.844479 ] [ 0.236937 0.253931 0.655521 ] [ 0.236937 0.246069 0.155521 ] [ 0.763063 0.746069 0.344479 ] [ 0.790587 0.924105 0.645404 ] [ 0.209413 0.424105 0.854596 ] [ 0.209413 0.075895 0.354596 ] [ 0.790587 0.575895 0.145404 ] [ 0.789288 0.942413 0.158441 ] [ 0.210712 0.442413 0.341559 ] [ 0.210712 0.057587 0.841559 ] [ 0.789288 0.557587 0.658441 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "P" "P" "P" "P" "H" "H" "H" "H" "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" 5.50679852 "source-unit" "angstrom" } "b" { "source-value" 6.92729579 "source-unit" "angstrom" } "c" { "source-value" 11.08073867 "source-unit" "angstrom" } "beta" { "source-value" 116.32374487 "source-unit" "degree" } }