{ "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" [ [ 0.75 0.978445 0.314289 ] [ 0.25 0.021555 0.685711 ] [ 0.75 0.478445 0.185711 ] [ 0.25 0.521555 0.814289 ] [ 0.75 0.338895 0.56545 ] [ 0.25 0.161105 0.06545 ] [ 0.25 0.661105 0.43455 ] [ 0.75 0.838895 0.93455 ] [ 0.25 0.772855 0.117158 ] [ 0.25 0.272855 0.382842 ] [ 0.75 0.727145 0.617158 ] [ 0.75 0.227145 0.882842 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "In" "In" "In" "In" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.67431992 "source-unit" "angstrom" } "b" { "source-value" 7.47006071 "source-unit" "angstrom" } "c" { "source-value" 8.50820041 "source-unit" "angstrom" } }