{ "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" [ [ 0.25 0.921663 0.286342 ] [ 0.75 0.078337 0.713658 ] [ 0.25 0.421663 0.213658 ] [ 0.75 0.578337 0.786342 ] [ 0.75 0.239507 0.456341 ] [ 0.25 0.760493 0.543659 ] [ 0.75 0.739507 0.043659 ] [ 0.25 0.260493 0.956341 ] [ 0.75 0.623286 0.368943 ] [ 0.25 0.376714 0.631057 ] [ 0.75 0.123286 0.131057 ] [ 0.25 0.876714 0.868943 ] [ 0.75 0.875755 0.427448 ] [ 0.25 0.124245 0.572552 ] [ 0.75 0.375755 0.072552 ] [ 0.25 0.624245 0.927448 ] [ 0.75 0.682437 0.227566 ] [ 0.25 0.317563 0.772434 ] [ 0.75 0.182437 0.272434 ] [ 0.25 0.817563 0.727566 ] [ 0.25 0.4957 0.401223 ] [ 0.75 0.5043 0.598777 ] [ 0.25 0.9957 0.098777 ] [ 0.75 0.0043 0.901223 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ag" "Ag" "Ag" "Ag" "Cl" "Cl" "Cl" "Cl" "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" 4.5339883 "source-unit" "angstrom" } "b" { "source-value" 9.41656064 "source-unit" "angstrom" } "c" { "source-value" 18.20914391 "source-unit" "angstrom" } }