{ "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 0.861367 0.25 ] [ 0 0.138633 0.75 ] [ 0.5 0.361367 0.25 ] [ 0.5 0.638633 0.75 ] [ 0.5 0.069044 0.25 ] [ 0.5 0.930956 0.75 ] [ 0 0.569044 0.25 ] [ 0 0.430956 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.56003271457 "source-unit" "angstrom" } "b" { "source-value" 10.7053387177 "source-unit" "angstrom" } "c" { "source-value" 3.9015219 "source-unit" "angstrom" } }