{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.007075 0.75 0.73161 ] [ 0.507075 0.25 0.76839 ] [ 0.992925 0.25 0.26839 ] [ 0.492925 0.75 0.23161 ] [ 0.583958 0.75 0.909885 ] [ 0.083958 0.25 0.590115 ] [ 0.416042 0.25 0.090115 ] [ 0.916042 0.75 0.409885 ] [ 0.221679 0.75 0.909961 ] [ 0.721679 0.25 0.590039 ] [ 0.778321 0.25 0.090039 ] [ 0.278321 0.75 0.409961 ] [ 0.74941 0.75 0.571961 ] [ 0.24941 0.25 0.928039 ] [ 0.25059 0.25 0.428039 ] [ 0.75059 0.75 0.071961 ] [ 0.76004 0.987897 0.832984 ] [ 0.26004 0.012103 0.667016 ] [ 0.23996 0.487897 0.167016 ] [ 0.73996 0.512103 0.332984 ] [ 0.23996 0.012103 0.167016 ] [ 0.73996 0.987897 0.332984 ] [ 0.76004 0.512103 0.832984 ] [ 0.26004 0.487897 0.667016 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Ca" "Ca" "Ca" "Ca" "In" "In" "In" "In" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.73802528 "source-unit" "angstrom" } "b" { "source-value" 8.04723276 "source-unit" "angstrom" } "c" { "source-value" 13.83916733 "source-unit" "angstrom" } }