{ "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" [ [ 0.5 0.904132 0.75 ] [ 0.5 0.095868 0.25 ] [ 0 0.404132 0.75 ] [ 0 0.595868 0.25 ] [ 0 0.140747 0.571727 ] [ 0 0.859253 0.428273 ] [ 0 0.859253 0.071727 ] [ 0 0.140747 0.928273 ] [ 0.5 0.640747 0.571727 ] [ 0.5 0.359253 0.428273 ] [ 0.5 0.359253 0.071727 ] [ 0.5 0.640747 0.928273 ] [ 0.5 0.750492 0.25 ] [ 0.5 0.249508 0.75 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.250492 0.25 ] [ 0 0.749508 0.75 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.84608509 "source-unit" "angstrom" } "b" { "source-value" 9.18038882 "source-unit" "angstrom" } "c" { "source-value" 7.10046434 "source-unit" "angstrom" } }