{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcm" } "basis-atom-coordinates" { "source-value" [ [ 0.391331 0.75 0.5 ] [ 0.391331 0.75 0 ] [ 0.608669 0.25 0.5 ] [ 0.608669 0.25 0 ] [ 0.872042 0.962237 0.75 ] [ 0.872042 0.537763 0.25 ] [ 0.127958 0.462237 0.75 ] [ 0.127958 0.037763 0.25 ] [ 0.11398 0.25 0 ] [ 0.88602 0.75 0 ] [ 0.88602 0.75 0.5 ] [ 0.11398 0.25 0.5 ] [ 0.573784 0.610314 0.75 ] [ 0.573784 0.889686 0.25 ] [ 0.426216 0.110314 0.75 ] [ 0.426216 0.389686 0.25 ] [ 0.269472 0.07788 0.467682 ] [ 0.269472 0.42212 0.532318 ] [ 0.730528 0.57788 0.032318 ] [ 0.730528 0.92212 0.967682 ] [ 0.730528 0.92212 0.532318 ] [ 0.730528 0.57788 0.467682 ] [ 0.269472 0.42212 0.967682 ] [ 0.269472 0.07788 0.032318 ] [ 0.045144 0.768167 0.384032 ] [ 0.045144 0.768167 0.115968 ] [ 0.954856 0.268167 0.115968 ] [ 0.954856 0.231833 0.884032 ] [ 0.954856 0.231833 0.615968 ] [ 0.954856 0.268167 0.384032 ] [ 0.045144 0.731833 0.884032 ] [ 0.045144 0.731833 0.615968 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "Si" "Si" "Si" "Si" "Se" "Se" "Se" "Se" "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" 6.34057083 "source-unit" "angstrom" } "b" { "source-value" 7.37623766 "source-unit" "angstrom" } "c" { "source-value" 11.28834065 "source-unit" "angstrom" } }