{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.43776 0.93776 0.56224 ] [ 0.56224 0.43776 0.93776 ] [ 0.698496 0.801504 0.198496 ] [ 0.93776 0.56224 0.43776 ] [ 0.301504 0.301504 0.301504 ] [ 0.198496 0.698496 0.801504 ] [ 0.801504 0.198496 0.698496 ] [ 0.06224 0.06224 0.06224 ] [ 0.41891 0.08109 0.91891 ] [ 0.91891 0.41891 0.08109 ] [ 0.08109 0.91891 0.41891 ] [ 0.58109 0.58109 0.58109 ] [ 0.164329 0.335671 0.664329 ] [ 0.335671 0.664329 0.164329 ] [ 0.835671 0.835671 0.835671 ] [ 0.664329 0.164329 0.335671 ] [ 0.374326 0.976338 0.236399 ] [ 0.874326 0.523662 0.763601 ] [ 0.625674 0.476338 0.263601 ] [ 0.523662 0.763601 0.874326 ] [ 0.263601 0.625674 0.476338 ] [ 0.763601 0.874326 0.523662 ] [ 0.976338 0.236399 0.374326 ] [ 0.236399 0.374326 0.976338 ] [ 0.476338 0.263601 0.625674 ] [ 0.125674 0.023662 0.736399 ] [ 0.736399 0.125674 0.023662 ] [ 0.023662 0.736399 0.125674 ] [ 0.336609 0.003505 0.103796 ] [ 0.836609 0.496495 0.896204 ] [ 0.663391 0.503505 0.396204 ] [ 0.496495 0.896204 0.836609 ] [ 0.396204 0.663391 0.503505 ] [ 0.896204 0.836609 0.496495 ] [ 0.003505 0.103796 0.336609 ] [ 0.103796 0.336609 0.003505 ] [ 0.503505 0.396204 0.663391 ] [ 0.996495 0.603796 0.163391 ] [ 0.603796 0.163391 0.996495 ] [ 0.163391 0.996495 0.603796 ] [ 0.261742 0.994062 0.318998 ] [ 0.761742 0.505938 0.681002 ] [ 0.738258 0.494062 0.181002 ] [ 0.505938 0.681002 0.761742 ] [ 0.181002 0.738258 0.494062 ] [ 0.681002 0.761742 0.505938 ] [ 0.252253 0.576439 0.344161 ] [ 0.994062 0.318998 0.261742 ] [ 0.494062 0.181002 0.738258 ] [ 0.005938 0.818998 0.238258 ] [ 0.818998 0.238258 0.005938 ] [ 0.238258 0.005938 0.818998 ] [ 0.423561 0.844161 0.247747 ] [ 0.923561 0.655839 0.752253 ] [ 0.576439 0.344161 0.252253 ] [ 0.655839 0.752253 0.923561 ] [ 0.026546 0.934923 0.780311 ] [ 0.780311 0.026546 0.934923 ] [ 0.934923 0.780311 0.026546 ] [ 0.565077 0.219689 0.526546 ] [ 0.280311 0.473454 0.065077 ] [ 0.065077 0.280311 0.473454 ] [ 0.719689 0.973454 0.434923 ] [ 0.219689 0.526546 0.565077 ] [ 0.434923 0.719689 0.973454 ] [ 0.526546 0.565077 0.219689 ] [ 0.973454 0.434923 0.719689 ] [ 0.473454 0.065077 0.280311 ] [ 0.076439 0.155839 0.747747 ] [ 0.747747 0.076439 0.155839 ] [ 0.155839 0.747747 0.076439 ] [ 0.344161 0.252253 0.576439 ] [ 0.247747 0.423561 0.844161 ] [ 0.844161 0.247747 0.423561 ] [ 0.752253 0.923561 0.655839 ] [ 0.318998 0.261742 0.994062 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.59517809 "source-unit" "angstrom" } }