{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.306605 0.454712 0.700579 ] [ 0.693395 0.954712 0.799421 ] [ 0.693395 0.545288 0.299421 ] [ 0.306605 0.045288 0.200579 ] [ 0.931066 0.160443 0.453919 ] [ 0.068934 0.839557 0.546081 ] [ 0.931066 0.339557 0.953919 ] [ 0.068934 0.660443 0.046081 ] [ 0.581408 0.27649 0.997608 ] [ 0.581408 0.22351 0.497608 ] [ 0.418592 0.77649 0.502392 ] [ 0.418592 0.72351 0.002392 ] [ 0.09778 0.388046 0.27908 ] [ 0.90222 0.888046 0.22092 ] [ 0.90222 0.611954 0.72092 ] [ 0.09778 0.111954 0.77908 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.74499634484 "source-unit" "angstrom" } "b" { "source-value" 7.50932532 "source-unit" "angstrom" } "c" { "source-value" 7.21991575179 "source-unit" "angstrom" } "beta" { "source-value" 96.532297751 "source-unit" "degree" } }