{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.7968 0.727071 0.25 ] [ 0.2032 0.272929 0.75 ] [ 0.7968 0.272929 0.25 ] [ 0.2032 0.727071 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.2968 0.227071 0.25 ] [ 0.7032 0.772929 0.75 ] [ 0.2968 0.772929 0.25 ] [ 0.7032 0.227071 0.75 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.435307 0 0.25 ] [ 0.564693 0 0.75 ] [ 0.314223 0.124783 0.966375 ] [ 0.685777 0.875217 0.466375 ] [ 0.314223 0.875217 0.533625 ] [ 0.685777 0.124783 0.033625 ] [ 0.685777 0.875217 0.033625 ] [ 0.314223 0.124783 0.533625 ] [ 0.685777 0.124783 0.466375 ] [ 0.314223 0.875217 0.966375 ] [ 0.02416 0.130348 0.25 ] [ 0.97584 0.869652 0.75 ] [ 0.02416 0.869652 0.25 ] [ 0.97584 0.130348 0.75 ] [ 0.935307 0.5 0.25 ] [ 0.064693 0.5 0.75 ] [ 0.814223 0.624783 0.966375 ] [ 0.185777 0.375217 0.466375 ] [ 0.814223 0.375217 0.533625 ] [ 0.185777 0.624783 0.033625 ] [ 0.185777 0.375217 0.033625 ] [ 0.814223 0.624783 0.533625 ] [ 0.185777 0.624783 0.466375 ] [ 0.814223 0.375217 0.966375 ] [ 0.52416 0.630348 0.25 ] [ 0.47584 0.369652 0.75 ] [ 0.52416 0.369652 0.25 ] [ 0.47584 0.630348 0.75 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Ta" "Ta" "Ta" "Ta" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.62308059945 "source-unit" "angstrom" } "b" { "source-value" 11.2327554867 "source-unit" "angstrom" } "c" { "source-value" 7.8082492 "source-unit" "angstrom" } }