{ "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 0.703641 0.377391 ] [ 0.75 0.296359 0.622609 ] [ 0.25 0.203641 0.122609 ] [ 0.75 0.796359 0.877391 ] [ 0.25 0.467914 0.830301 ] [ 0.75 0.032086 0.330301 ] [ 0.25 0.967914 0.669699 ] [ 0.75 0.532086 0.169699 ] [ 0.75 0.639632 0.558176 ] [ 0.25 0.860368 0.058176 ] [ 0.75 0.139632 0.941824 ] [ 0.25 0.360368 0.441824 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "I" "I" "I" "I" "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" 4.63237772 "source-unit" "angstrom" } "b" { "source-value" 8.33019338 "source-unit" "angstrom" } "c" { "source-value" 9.8721844 "source-unit" "angstrom" } }