{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.162711 0.17758 ] [ 0.75 0.837289 0.82242 ] [ 0.75 0.662711 0.32242 ] [ 0.25 0.337289 0.67758 ] [ 0.25 0.684057 0.070108 ] [ 0.75 0.315943 0.929892 ] [ 0.75 0.184057 0.429892 ] [ 0.25 0.815943 0.570108 ] [ 0.529057 0.309455 0.419406 ] [ 0.029057 0.690545 0.580594 ] [ 0.470943 0.809455 0.080594 ] [ 0.970943 0.190545 0.919406 ] [ 0.470943 0.690545 0.580594 ] [ 0.970943 0.309455 0.419406 ] [ 0.529057 0.190545 0.919406 ] [ 0.029057 0.809455 0.080594 ] [ 0.25 0.547045 0.208267 ] [ 0.75 0.452955 0.791733 ] [ 0.75 0.047045 0.291733 ] [ 0.25 0.952955 0.708267 ] [ 0.25 0.579149 0.914145 ] [ 0.75 0.420851 0.085855 ] [ 0.75 0.079149 0.585855 ] [ 0.25 0.920851 0.414145 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Br" "Br" "Br" "Br" "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" 6.07594305 "source-unit" "angstrom" } "b" { "source-value" 7.70010561 "source-unit" "angstrom" } "c" { "source-value" 9.17788365 "source-unit" "angstrom" } }