{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0.515162 0.75 0.714523 ] [ 0.484838 0.25 0.285477 ] [ 0.984838 0.75 0.214523 ] [ 0.015162 0.25 0.785477 ] [ 0.068127 0.75 0.896968 ] [ 0.431873 0.75 0.396968 ] [ 0.931873 0.25 0.103032 ] [ 0.568127 0.25 0.603032 ] [ 0.191784 0.563153 0.830074 ] [ 0.808216 0.063153 0.169926 ] [ 0.308216 0.563153 0.330074 ] [ 0.691784 0.063153 0.669926 ] [ 0.324776 0.75 0.529255 ] [ 0.675224 0.25 0.470745 ] [ 0.175224 0.75 0.029255 ] [ 0.824776 0.25 0.970745 ] [ 0.808216 0.436847 0.169926 ] [ 0.191784 0.936847 0.830074 ] [ 0.691784 0.436847 0.669926 ] [ 0.308216 0.936847 0.330074 ] [ 0.266324 0.25 0.606536 ] [ 0.733676 0.75 0.393464 ] [ 0.233676 0.25 0.106536 ] [ 0.766324 0.75 0.893464 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cd" "Cd" "Cd" "Cd" "P" "P" "P" "P" "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" 5.11992846 "source-unit" "angstrom" } "b" { "source-value" 6.61131648 "source-unit" "angstrom" } "c" { "source-value" 11.03060079 "source-unit" "angstrom" } }