{ "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 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.795869 0.5 0.665982 ] [ 0.158028 0.5 0.971025 ] [ 0.841972 0.5 0.028975 ] [ 0 0 0 ] [ 0.204131 0.5 0.334018 ] [ 0.295869 0 0.665982 ] [ 0.658028 0 0.971025 ] [ 0.341972 0 0.028975 ] [ 0.5 0.5 0 ] [ 0.704131 0 0.334018 ] [ 0.762183 0 0.84497 ] [ 0.237817 0 0.15503 ] [ 0.828345 0 0.514706 ] [ 0.171655 0 0.485294 ] [ 0.916203 0 0.174085 ] [ 0.083797 0 0.825915 ] [ 0.077405 0.5 0.146394 ] [ 0.922595 0.5 0.853606 ] [ 0.262183 0.5 0.84497 ] [ 0.737817 0.5 0.15503 ] [ 0.328345 0.5 0.514706 ] [ 0.671655 0.5 0.485294 ] [ 0.416203 0.5 0.174085 ] [ 0.583797 0.5 0.825915 ] [ 0.577405 0 0.146394 ] [ 0.422595 0 0.853606 ] ] } "species" { "source-value" [ "K" "K" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 18.056504512 "source-unit" "angstrom" } "b" { "source-value" 3.50382637127 "source-unit" "angstrom" } "c" { "source-value" 8.7174824725 "source-unit" "angstrom" } "beta" { "source-value" 105.764796659 "source-unit" "degree" } }