{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.220008 0.229671 0.109182 ] [ 0.779992 0.770329 0.890818 ] [ 0.720008 0.270329 0.109182 ] [ 0.279992 0.729671 0.890818 ] [ 0.271385 0.122993 0.29483 ] [ 0.162274 0.140395 0.894046 ] [ 0.728615 0.877007 0.70517 ] [ 0.337726 0.640395 0.105954 ] [ 0.771385 0.377007 0.29483 ] [ 0.228615 0.622993 0.70517 ] [ 0.662274 0.359605 0.894046 ] [ 0.837726 0.859605 0.105954 ] [ 0.339376 0.86711 0.105275 ] [ 0.714581 0.656385 0.635847 ] [ 0.214581 0.843615 0.635847 ] [ 0.660624 0.13289 0.894725 ] [ 0.285419 0.343615 0.364153 ] [ 0.839376 0.63289 0.105275 ] [ 0.785419 0.156385 0.364153 ] [ 0.160624 0.36711 0.894725 ] [ 0.8021 0.439664 0.409488 ] [ 0.1979 0.560336 0.590512 ] [ 0.3021 0.060336 0.409488 ] [ 0.374104 0.587722 0.236886 ] [ 0.125896 0.087722 0.763114 ] [ 0.874104 0.912278 0.236886 ] [ 0.625896 0.412278 0.763114 ] [ 0.6979 0.939664 0.590512 ] ] } "species" { "source-value" [ "Pt" "Pt" "Pt" "Pt" "C" "C" "C" "C" "C" "C" "C" "C" "Cl" "Cl" "Cl" "Cl" "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" 6.74447462628 "source-unit" "angstrom" } "b" { "source-value" 12.98817448 "source-unit" "angstrom" } "c" { "source-value" 7.26818618978 "source-unit" "angstrom" } "beta" { "source-value" 104.994407155 "source-unit" "degree" } }