{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0.5 ] [ 0.5 0.329603 0.25 ] [ 0 0.170397 0.75 ] [ 0 0.829603 0.25 ] [ 0.5 0.670397 0.75 ] [ 0.799561 0.447108 0.24708 ] [ 0.200439 0.447108 0.25292 ] [ 0.299561 0.052892 0.74708 ] [ 0.700439 0.052892 0.75292 ] [ 0.299561 0.947108 0.24708 ] [ 0.700439 0.947108 0.25292 ] [ 0.799561 0.552892 0.74708 ] [ 0.200439 0.552892 0.75292 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.75512215 "source-unit" "angstrom" } "b" { "source-value" 5.29166366 "source-unit" "angstrom" } "c" { "source-value" 5.48573949 "source-unit" "angstrom" } "beta" { "source-value" 125.8930889 "source-unit" "degree" } }