{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.677555 0.485291 ] [ 0.5 0.822445 0.985291 ] [ 0.5 0.408733 0.247926 ] [ 0.5 0.908733 0.252074 ] [ 0.5 0.591267 0.752074 ] [ 0.5 0.177555 0.014709 ] [ 0.5 0.091267 0.747926 ] [ 0.5 0 0.5 ] [ 0.5 0.322445 0.514709 ] [ 0.5 0.5 0 ] [ 0 0.663306 0.286807 ] [ 0 0.163306 0.213193 ] [ 0 0.836694 0.786807 ] [ 0 0.336694 0.713193 ] [ 0 0.96295 0.095793 ] [ 0 0.850214 0.407274 ] [ 0.5 0.661703 0.17001 ] [ 0 0.46295 0.404207 ] [ 0 0.649786 0.907274 ] [ 0 0.149786 0.592726 ] [ 0 0.03705 0.904207 ] [ 0.5 0.161703 0.32999 ] [ 0.5 0.838297 0.67001 ] [ 0 0.53705 0.595793 ] [ 0 0.350214 0.092726 ] [ 0.5 0.338297 0.82999 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "In" "In" "In" "In" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.61932431222 "source-unit" "angstrom" } "b" { "source-value" 12.2426742686 "source-unit" "angstrom" } "c" { "source-value" 14.4336428751 "source-unit" "angstrom" } }