{ "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 0.784146 0.920496 ] [ 0.25 0.215854 0.079504 ] [ 0.75 0.284146 0.579504 ] [ 0.25 0.715854 0.420496 ] [ 0.75 0.599902 0.137134 ] [ 0.25 0.400098 0.862866 ] [ 0.75 0.099902 0.362866 ] [ 0.25 0.900098 0.637134 ] [ 0.75 0.60204 0.478655 ] [ 0.25 0.39796 0.521345 ] [ 0.75 0.10204 0.021345 ] [ 0.25 0.89796 0.978655 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Cl" "Cl" "Cl" "Cl" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.40092237 "source-unit" "angstrom" } "b" { "source-value" 6.352821 "source-unit" "angstrom" } "c" { "source-value" 10.48871191 "source-unit" "angstrom" } }