{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.597101 0.75 0.905443 ] [ 0.402899 0.25 0.094557 ] [ 0.764095 0.75 0.446548 ] [ 0.235905 0.25 0.553452 ] [ 0.866959 0.094489 0.519507 ] [ 0.133041 0.594489 0.480493 ] [ 0.133041 0.905511 0.480493 ] [ 0.866959 0.405511 0.519507 ] [ 0.790762 0.057065 0.888189 ] [ 0.209238 0.557065 0.111811 ] [ 0.209238 0.942935 0.111811 ] [ 0.790762 0.442935 0.888189 ] ] } "species" { "source-value" [ "Ce" "Ce" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.60790064126 "source-unit" "angstrom" } "b" { "source-value" 9.5769251 "source-unit" "angstrom" } "c" { "source-value" 5.57480990149 "source-unit" "angstrom" } "beta" { "source-value" 108.937705404 "source-unit" "degree" } }