{ "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" [ [ 0.776152 0.75 0.686624 ] [ 0.223848 0.25 0.313376 ] [ 0.296942 0.457248 0.868626 ] [ 0.703058 0.957248 0.131374 ] [ 0.296942 0.042752 0.868626 ] [ 0.703058 0.542752 0.131374 ] [ 0.272513 0.25 0.763067 ] [ 0.727487 0.75 0.236933 ] ] } "species" { "source-value" [ "K" "K" "H" "H" "H" "H" "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" 4.62500683977 "source-unit" "angstrom" } "b" { "source-value" 3.82406099 "source-unit" "angstrom" } "c" { "source-value" 6.28316729648 "source-unit" "angstrom" } "beta" { "source-value" 95.4611080465 "source-unit" "degree" } }