{ "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 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.791053 0.75 ] [ 0.5 0.208947 0.25 ] [ 0 0.291053 0.75 ] [ 0 0.708947 0.25 ] [ 0 0.917289 0.75 ] [ 0 0.082711 0.25 ] [ 0.5 0.417289 0.75 ] [ 0.5 0.582711 0.25 ] [ 0.5 0.159327 0.562402 ] [ 0.5 0.840673 0.437598 ] [ 0.5 0.840673 0.062402 ] [ 0.5 0.159327 0.937598 ] [ 0 0.659327 0.562402 ] [ 0 0.340673 0.437598 ] [ 0 0.340673 0.062402 ] [ 0 0.659327 0.937598 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.07054279 "source-unit" "angstrom" } "b" { "source-value" 14.17040124 "source-unit" "angstrom" } "c" { "source-value" 8.70450217 "source-unit" "angstrom" } }