{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.870625 0.765866 0.5 ] [ 0.129375 0.265866 0 ] [ 0.328368 0.229353 0.5 ] [ 0.671632 0.729353 0 ] [ 0.812275 0.601382 0.819843 ] [ 0.187725 0.101382 0.680157 ] [ 0.187725 0.101382 0.319843 ] [ 0.812275 0.601382 0.180157 ] [ 0.373264 0.666029 0 ] [ 0.626736 0.166029 0.5 ] [ 0.704969 0.031589 0 ] [ 0.295031 0.531589 0.5 ] ] } "species" { "source-value" [ "Cd" "Cd" "S" "S" "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" 4.84806734 "source-unit" "angstrom" } "b" { "source-value" 4.88067739 "source-unit" "angstrom" } "c" { "source-value" 6.60086486 "source-unit" "angstrom" } }