{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.439233 0.170173 ] [ 0.5 0.060767 0.670173 ] [ 0.5 0.939233 0.329827 ] [ 0.5 0.560767 0.829827 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.184676 0.922162 ] [ 0 0.654537 0.299084 ] [ 0.5 0.815324 0.077838 ] [ 0 0.845463 0.799084 ] [ 0.5 0.315324 0.422162 ] [ 0 0.154537 0.200916 ] [ 0 0.345463 0.700916 ] [ 0.5 0.684676 0.577838 ] [ 0 0 0.5 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Sn" "Sn" "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" 3.96907646 "source-unit" "angstrom" } "b" { "source-value" 7.87503863 "source-unit" "angstrom" } "c" { "source-value" 11.34349317 "source-unit" "angstrom" } }