{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2mm" } "basis-atom-coordinates" { "source-value" [ [ 0.955661 0 0 ] [ 0.519256 0 0.5 ] [ 0.455661 0.5 0.5 ] [ 0.019256 0.5 0 ] [ 0.071972 0 0.311333 ] [ 0.439009 0 0.843063 ] [ 0.071972 0 0.688667 ] [ 0.439009 0 0.156937 ] [ 0.571972 0.5 0.811333 ] [ 0.939009 0.5 0.343063 ] [ 0.571972 0.5 0.188667 ] [ 0.939009 0.5 0.656937 ] [ 0.746249 0.798726 0.749331 ] [ 0.746249 0.201274 0.749331 ] [ 0.746249 0.201274 0.250669 ] [ 0.501563 0.281297 0 ] [ 0.501563 0.718703 0 ] [ 0.746249 0.798726 0.250669 ] [ 0.246249 0.298726 0.249331 ] [ 0.246249 0.701274 0.249331 ] [ 0.246249 0.701274 0.750669 ] [ 0.001563 0.781297 0.5 ] [ 0.001563 0.218703 0.5 ] [ 0.246249 0.298726 0.750669 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.7593080562 "source-unit" "angstrom" } "b" { "source-value" 7.09697157667 "source-unit" "angstrom" } "c" { "source-value" 9.90336887088 "source-unit" "angstrom" } }