{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.796378 ] [ 0 0.5 0.203622 ] [ 0.5 0 0.296378 ] [ 0.5 0 0.703622 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.744826 0.852839 ] [ 0.5 0.255174 0.147161 ] [ 0.5 0.744826 0.147161 ] [ 0.5 0.255174 0.852839 ] [ 0 0.5 0 ] [ 0 0.244826 0.352839 ] [ 0 0.755174 0.647161 ] [ 0 0.244826 0.647161 ] [ 0 0.755174 0.352839 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Nd" "Nd" "Nd" "Nd" "Co" "Co" "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" 3.77174975959 "source-unit" "angstrom" } "b" { "source-value" 6.01752857586 "source-unit" "angstrom" } "c" { "source-value" 12.0829851662 "source-unit" "angstrom" } }