{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmce" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.137645 0.074052 ] [ 0 0.137645 0.425948 ] [ 0 0.862355 0.574052 ] [ 0.5 0.862355 0.925948 ] [ 0.5 0.052353 0.641992 ] [ 0.5 0.947647 0.358008 ] [ 0 0.947647 0.141992 ] [ 0 0.052353 0.858008 ] [ 0 0.637645 0.074052 ] [ 0.5 0.637645 0.425948 ] [ 0.5 0.362355 0.574052 ] [ 0 0.362355 0.925948 ] [ 0 0.552353 0.641992 ] [ 0 0.447647 0.358008 ] [ 0.5 0.447647 0.141992 ] [ 0.5 0.552353 0.858008 ] [ 0 0.244357 0.665317 ] [ 0.5 0.755643 0.165317 ] [ 0 0.755643 0.334683 ] [ 0.5 0.244357 0.834683 ] [ 0.5 0.744357 0.665317 ] [ 0 0.255643 0.165317 ] [ 0.5 0.255643 0.334683 ] [ 0 0.744357 0.834683 ] [ 0.75 0.788836 0.75 ] [ 0.75 0.211164 0.25 ] [ 0.25 0.211164 0.25 ] [ 0.25 0.788836 0.75 ] [ 0.5 0.088928 0.859552 ] [ 0.5 0.911072 0.140448 ] [ 0 0.911072 0.359552 ] [ 0.5 0.839841 0.550683 ] [ 0 0.839841 0.949317 ] [ 0 0.160159 0.050683 ] [ 0.5 0.160159 0.449317 ] [ 0 0.088928 0.640448 ] [ 0.25 0.288836 0.75 ] [ 0.25 0.711164 0.25 ] [ 0.75 0.711164 0.25 ] [ 0.75 0.288836 0.75 ] [ 0 0.588928 0.859552 ] [ 0 0.411072 0.140448 ] [ 0.5 0.411072 0.359552 ] [ 0 0.339841 0.550683 ] [ 0.5 0.339841 0.949317 ] [ 0.5 0.660159 0.050683 ] [ 0 0.660159 0.449317 ] [ 0.5 0.588928 0.640448 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "P" "P" "P" "P" "P" "P" "P" "P" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 5.22429704 "source-unit" "angstrom" } "b" { "source-value" 10.38763644 "source-unit" "angstrom" } "c" { "source-value" 11.31695277 "source-unit" "angstrom" } }