{ "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" [ [ 0.996525 0.25 0.653628 ] [ 0.003475 0.75 0.346372 ] [ 0.723315 0.25 0.107773 ] [ 0.276685 0.75 0.892227 ] [ 0.384059 0.407483 0.045179 ] [ 0.615941 0.907483 0.954821 ] [ 0.615941 0.592517 0.954821 ] [ 0.384059 0.092517 0.045179 ] [ 0.28607 0.471628 0.405057 ] [ 0.71393 0.971628 0.594943 ] [ 0.71393 0.528372 0.594943 ] [ 0.28607 0.028372 0.405057 ] ] } "species" { "source-value" [ "Y" "Y" "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" 4.9587877 "source-unit" "angstrom" } "b" { "source-value" 9.43815384 "source-unit" "angstrom" } "c" { "source-value" 5.36516974 "source-unit" "angstrom" } "beta" { "source-value" 102.122773 "source-unit" "degree" } }