{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.313452 0 0.872058 ] [ 0.686548 0 0.127942 ] [ 0.813452 0.5 0.872058 ] [ 0.186548 0.5 0.127942 ] ] } "species" { "source-value" [ "Cr" "Cr" "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" 5.7335670113 "source-unit" "angstrom" } "b" { "source-value" 3.31974784319 "source-unit" "angstrom" } "c" { "source-value" 10.7119299971 "source-unit" "angstrom" } "beta" { "source-value" 94.7720510154 "source-unit" "degree" } }