{ "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" [ [ 0.921191 0 0.602215 ] [ 0.078809 0 0.397785 ] [ 0.734279 0 0.775432 ] [ 0.265721 0 0.224568 ] [ 0.421191 0.5 0.602215 ] [ 0.578809 0.5 0.397785 ] [ 0.234279 0.5 0.775432 ] [ 0.765721 0.5 0.224568 ] [ 0.997524 0.5 0.870702 ] [ 0.002476 0.5 0.129298 ] [ 0.497524 0 0.870702 ] [ 0.502476 0 0.129298 ] [ 0.929604 0.5 0.620286 ] [ 0.070396 0.5 0.379714 ] [ 0.215534 0.5 0.196224 ] [ 0.784466 0.5 0.803776 ] [ 0.429604 0 0.620286 ] [ 0.570396 0 0.379714 ] [ 0.715534 0 0.196224 ] [ 0.284466 0 0.803776 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Fe" "Fe" "Fe" "Fe" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.8751870687 "source-unit" "angstrom" } "b" { "source-value" 4.96440291491 "source-unit" "angstrom" } "c" { "source-value" 9.3433940998 "source-unit" "angstrom" } "beta" { "source-value" 142.162210013 "source-unit" "degree" } }