{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "F2mm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.002587 0.162402 ] [ 0 0.002587 0.837598 ] [ 0 0.502587 0.662402 ] [ 0 0.502587 0.337598 ] [ 0.5 0.502587 0.162402 ] [ 0.5 0.502587 0.837598 ] [ 0.5 0.002587 0.662402 ] [ 0.5 0.002587 0.337598 ] [ 0 0.546281 0 ] [ 0 0.046281 0.5 ] [ 0.5 0.046281 0 ] [ 0.5 0.546281 0.5 ] [ 0 0.780342 0 ] [ 0.5 0.941662 0.917859 ] [ 0.25 0.251407 0.75 ] [ 0.5 0.941662 0.082141 ] [ 0.75 0.751407 0.25 ] [ 0 0.280342 0.5 ] [ 0.5 0.441662 0.417859 ] [ 0.25 0.751407 0.25 ] [ 0.5 0.441662 0.582141 ] [ 0.75 0.251407 0.75 ] [ 0.5 0.280342 0 ] [ 0 0.441662 0.917859 ] [ 0.75 0.751407 0.75 ] [ 0 0.441662 0.082141 ] [ 0.25 0.251407 0.25 ] [ 0.5 0.780342 0.5 ] [ 0 0.941662 0.417859 ] [ 0.75 0.251407 0.25 ] [ 0 0.941662 0.582141 ] [ 0.25 0.751407 0.75 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.5666638 "source-unit" "angstrom" } "b" { "source-value" 5.56770841 "source-unit" "angstrom" } "c" { "source-value" 14.17953688 "source-unit" "angstrom" } }