{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.341461 0.930068 ] [ 0.25 0.658539 0.069932 ] [ 0.75 0.841461 0.569932 ] [ 0.25 0.158539 0.430068 ] [ 0.75 0.478552 0.314592 ] [ 0.25 0.521448 0.685408 ] [ 0.75 0.978552 0.185408 ] [ 0.25 0.021448 0.814592 ] [ 0.75 0.751914 0.890693 ] [ 0.25 0.248086 0.109307 ] [ 0.75 0.251914 0.609307 ] [ 0.25 0.748086 0.390693 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Pb" "Pb" "Pb" "Pb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.15327447 "source-unit" "angstrom" } "b" { "source-value" 7.98830496 "source-unit" "angstrom" } "c" { "source-value" 9.70804127 "source-unit" "angstrom" } }