{ "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 0.49609 0.263659 ] [ 0.25 0.50391 0.736341 ] [ 0.75 0.99609 0.236341 ] [ 0.25 0.00391 0.763659 ] [ 0.25 0.306447 0.0273 ] [ 0.25 0.806447 0.4727 ] [ 0.75 0.193553 0.5273 ] [ 0.75 0.693553 0.9727 ] [ 0.75 0.252803 0.167628 ] [ 0.25 0.247197 0.667628 ] [ 0.75 0.947299 0.611901 ] [ 0.25 0.052701 0.388099 ] [ 0.75 0.752803 0.332372 ] [ 0.75 0.447299 0.888099 ] [ 0.25 0.552701 0.111901 ] [ 0.25 0.747197 0.832372 ] [ 0.75 0.573761 0.606226 ] [ 0.75 0.073761 0.893774 ] [ 0.25 0.426239 0.393774 ] [ 0.25 0.926239 0.106226 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" "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" 4.0096924 "source-unit" "angstrom" } "b" { "source-value" 9.67063512 "source-unit" "angstrom" } "c" { "source-value" 12.79138899 "source-unit" "angstrom" } }