{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.465354 0.75 ] [ 0 0.534646 0.25 ] [ 0.5 0.965354 0.75 ] [ 0.5 0.034646 0.25 ] [ 0.708704 0.826197 0.75 ] [ 0.291296 0.173803 0.25 ] [ 0.291296 0.826197 0.75 ] [ 0.708704 0.173803 0.25 ] [ 0.208704 0.326197 0.75 ] [ 0.791296 0.673803 0.25 ] [ 0.791296 0.326197 0.75 ] [ 0.208704 0.673803 0.25 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "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" 6.20004038562 "source-unit" "angstrom" } "b" { "source-value" 6.61147768838 "source-unit" "angstrom" } "c" { "source-value" 7.56647898 "source-unit" "angstrom" } }