{ "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" [ [ 0.313444 0.75 0.003173 ] [ 0.812169 0.75 0.496747 ] [ 0.686556 0.25 0.996827 ] [ 0.187831 0.25 0.503253 ] [ 0.398171 0.75 0.399286 ] [ 0.601829 0.25 0.600714 ] [ 0.447549 0.25 0.135609 ] [ 0.058678 0.25 0.899386 ] [ 0.552451 0.75 0.864391 ] [ 0.890355 0.25 0.36433 ] [ 0.941322 0.75 0.100614 ] [ 0.109645 0.75 0.63567 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.92664873744 "source-unit" "angstrom" } "b" { "source-value" 3.77533354 "source-unit" "angstrom" } "c" { "source-value" 16.3249748465 "source-unit" "angstrom" } "beta" { "source-value" 95.1610428927 "source-unit" "degree" } }