{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.589092 0.981022 ] [ 0.75 0.410908 0.018978 ] [ 0.25 0.089092 0.518978 ] [ 0.75 0.910908 0.481022 ] [ 0.75 0.70171 0.10944 ] [ 0.25 0.29829 0.89056 ] [ 0.75 0.20171 0.39056 ] [ 0.25 0.79829 0.60944 ] [ 0.75 0.619722 0.407755 ] [ 0.25 0.380278 0.592245 ] [ 0.75 0.119722 0.092245 ] [ 0.25 0.880278 0.907755 ] [ 0.25 0.910541 0.32273 ] [ 0.75 0.089459 0.67727 ] [ 0.25 0.410541 0.17727 ] [ 0.75 0.589459 0.82273 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.15882295 "source-unit" "angstrom" } "b" { "source-value" 8.9094901 "source-unit" "angstrom" } "c" { "source-value" 11.54692491 "source-unit" "angstrom" } }