{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I222" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.309619 ] [ 0 0.5 0.190381 ] [ 0 0.5 0.809619 ] [ 0.5 0 0.690381 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.705535 0.304625 0.826088 ] [ 0.205535 0.195375 0.673912 ] [ 0.294465 0.695375 0.826088 ] [ 0.794465 0.804625 0.673912 ] [ 0.205535 0.804625 0.326088 ] [ 0.705535 0.695375 0.173912 ] [ 0.794465 0.195375 0.326088 ] [ 0.294465 0.304625 0.173912 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ag" "Ag" "Ag" "Ag" "Sn" "Sn" "Se" "Se" "Se" "Se" "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" 7.19905107671 "source-unit" "angstrom" } "b" { "source-value" 7.62072042993 "source-unit" "angstrom" } "c" { "source-value" 8.58203326043 "source-unit" "angstrom" } }