{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmm" } "basis-atom-coordinates" { "source-value" [ [ 0.924034 0.5 0 ] [ 0.075966 0 0.5 ] [ 0.373298 0.5 0.270648 ] [ 0.373298 0.5 0.729352 ] [ 0.626702 0 0.229352 ] [ 0.626702 0 0.770648 ] [ 0.795942 0.5 0.5 ] [ 0.204058 0 0 ] [ 0.665781 0.287856 0.5 ] [ 0.334219 0.212144 0 ] [ 0.042386 0.5 0.5 ] [ 0.957614 0 0 ] [ 0.334219 0.787856 0 ] [ 0.665781 0.712144 0.5 ] ] } "species" { "source-value" [ "K" "K" "Na" "Na" "Na" "Na" "B" "B" "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" 5.64413843 "source-unit" "angstrom" } "b" { "source-value" 5.65161409 "source-unit" "angstrom" } "c" { "source-value" 6.10632802 "source-unit" "angstrom" } }