{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.8204 0.25 ] [ 0 0.1796 0.75 ] [ 0.5 0.3204 0.25 ] [ 0.5 0.6796 0.75 ] [ 0 0.921298 0.75 ] [ 0 0.078702 0.25 ] [ 0.5 0.078555 0.75 ] [ 0.5 0.921445 0.25 ] [ 0.5 0.421298 0.75 ] [ 0.5 0.578702 0.25 ] [ 0 0.578555 0.75 ] [ 0 0.421445 0.25 ] [ 0.5 0.205736 0.25 ] [ 0.5 0.794264 0.75 ] [ 0 0.705736 0.25 ] [ 0 0.294264 0.75 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.31271254446 "source-unit" "angstrom" } "b" { "source-value" 26.4754112986 "source-unit" "angstrom" } "c" { "source-value" 4.3241133 "source-unit" "angstrom" } }