{ "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 0.247996 0.407803 ] [ 0.75 0.752004 0.592197 ] [ 0.25 0.747996 0.092197 ] [ 0.75 0.252004 0.907803 ] [ 0.75 0.97738 0.336515 ] [ 0.25 0.52262 0.836515 ] [ 0.75 0.47738 0.163485 ] [ 0.25 0.02262 0.663485 ] [ 0.75 0.859325 0.929017 ] [ 0.25 0.640675 0.429017 ] [ 0.75 0.359325 0.570983 ] [ 0.25 0.140675 0.070983 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Br" "Br" "Br" "Br" "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" 4.64926437 "source-unit" "angstrom" } "b" { "source-value" 7.93529857 "source-unit" "angstrom" } "c" { "source-value" 9.47312827 "source-unit" "angstrom" } }