{ "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 0.922016 0.25 ] [ 0 0.077984 0.75 ] [ 0.5 0.422016 0.25 ] [ 0.5 0.577984 0.75 ] [ 0.5 0.118674 0.25 ] [ 0.5 0.881326 0.75 ] [ 0 0.618674 0.25 ] [ 0 0.381326 0.75 ] [ 0.5 0.247005 0.75 ] [ 0.5 0.752995 0.25 ] [ 0 0.747005 0.75 ] [ 0 0.252995 0.25 ] [ 0.227656 0 0.5 ] [ 0.772344 0 0 ] [ 0.772344 0 0.5 ] [ 0.227656 0 0 ] [ 0.727656 0.5 0.5 ] [ 0.272344 0.5 0 ] [ 0.272344 0.5 0.5 ] [ 0.727656 0.5 0 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Pb" "Pb" "Pb" "Pb" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.6750176598 "source-unit" "angstrom" } "b" { "source-value" 12.5748394599 "source-unit" "angstrom" } "c" { "source-value" 5.50581271 "source-unit" "angstrom" } }