{ "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" [ [ 0.752522 0.443557 0.139273 ] [ 0.252522 0.056443 0.139273 ] [ 0.69468 0.873194 0.414836 ] [ 0.19468 0.626806 0.414836 ] [ 0.80532 0.373194 0.585164 ] [ 0.30532 0.126806 0.585164 ] [ 0.747478 0.943557 0.860727 ] [ 0.247478 0.556443 0.860727 ] [ 0.526385 0.769702 0.080904 ] [ 0.026385 0.730298 0.080904 ] [ 0.951261 0.157663 0.331464 ] [ 0.451261 0.342337 0.331464 ] [ 0.548739 0.657663 0.668536 ] [ 0.048739 0.842337 0.668536 ] [ 0.973615 0.269702 0.919096 ] [ 0.473615 0.230298 0.919096 ] [ 0.850612 0.588893 0.384606 ] [ 0.350612 0.911107 0.384606 ] [ 0.649388 0.088893 0.615394 ] [ 0.149388 0.411107 0.615394 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "S" "S" "S" "S" "S" "S" "S" "S" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.00455271 "source-unit" "angstrom" } "b" { "source-value" 7.21498984 "source-unit" "angstrom" } "c" { "source-value" 8.49993359 "source-unit" "angstrom" } "beta" { "source-value" 97.54687233 "source-unit" "degree" } }