{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.132148 0.700932 0.608943 ] [ 0.867852 0.700932 0.891057 ] [ 0.132148 0.299068 0.108943 ] [ 0.867852 0.299068 0.391057 ] [ 0.632148 0.200932 0.608943 ] [ 0.367852 0.200932 0.891057 ] [ 0.632148 0.799068 0.108943 ] [ 0.367852 0.799068 0.391057 ] [ 0 0.088674 0.75 ] [ 0 0.911326 0.25 ] [ 0.5 0.588674 0.75 ] [ 0.5 0.411326 0.25 ] [ 0 0.358545 0.75 ] [ 0 0.641455 0.25 ] [ 0.86944 0.95222 0.61461 ] [ 0.13056 0.95222 0.88539 ] [ 0.13056 0.04778 0.38539 ] [ 0.86944 0.04778 0.11461 ] [ 0.5 0.858545 0.75 ] [ 0.5 0.141455 0.25 ] [ 0.36944 0.45222 0.61461 ] [ 0.63056 0.45222 0.88539 ] [ 0.63056 0.54778 0.38539 ] [ 0.36944 0.54778 0.11461 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "C" "C" "C" "C" "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" 10.164282417 "source-unit" "angstrom" } "b" { "source-value" 6.3950787192 "source-unit" "angstrom" } "c" { "source-value" 8.62865119135 "source-unit" "angstrom" } "beta" { "source-value" 107.218727657 "source-unit" "degree" } }