{ "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 0.170857 0.079108 ] [ 0.75 0.329143 0.579108 ] [ 0.75 0.829143 0.920892 ] [ 0.25 0.670857 0.420892 ] [ 0.25 0.519181 0.672983 ] [ 0.25 0.019181 0.827017 ] [ 0.75 0.480819 0.327017 ] [ 0.75 0.980819 0.172983 ] [ 0.75 0.329591 0.931494 ] [ 0.75 0.829591 0.568506 ] [ 0.25 0.670409 0.068506 ] [ 0.25 0.170409 0.431494 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Se" "Se" "Se" "Se" "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" 4.19157894 "source-unit" "angstrom" } "b" { "source-value" 9.33547283 "source-unit" "angstrom" } "c" { "source-value" 9.36168313 "source-unit" "angstrom" } }