{ "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 0.978273 0.318877 ] [ 0.25 0.021727 0.681123 ] [ 0.75 0.478273 0.181123 ] [ 0.25 0.521727 0.818877 ] [ 0.75 0.85117 0.930806 ] [ 0.25 0.14883 0.069194 ] [ 0.75 0.35117 0.569194 ] [ 0.25 0.64883 0.430806 ] [ 0.75 0.737403 0.611187 ] [ 0.25 0.262597 0.388813 ] [ 0.75 0.237403 0.888813 ] [ 0.25 0.762597 0.111187 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ca" "Ca" "Ca" "Ca" "Pb" "Pb" "Pb" "Pb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.23426627 "source-unit" "angstrom" } "b" { "source-value" 8.5321283 "source-unit" "angstrom" } "c" { "source-value" 9.79099585 "source-unit" "angstrom" } }