{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.127194 0.75 ] [ 0 0.872806 0.25 ] [ 0.5 0.627194 0.75 ] [ 0.5 0.372806 0.25 ] [ 0.5 0.855413 0.75 ] [ 0.5 0.144587 0.25 ] [ 0 0.355413 0.75 ] [ 0 0.644587 0.25 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "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" 4.2894794799 "source-unit" "angstrom" } "b" { "source-value" 12.0120886218 "source-unit" "angstrom" } "c" { "source-value" 4.30099671 "source-unit" "angstrom" } }