{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2" } "basis-atom-coordinates" { "source-value" [ [ 0.951903 0.502227 0.239622 ] [ 0.507292 0.993633 0.736937 ] [ 0.048097 0.502227 0.760378 ] [ 0.492708 0.993633 0.263063 ] [ 0 0.007798 0 ] [ 0.5 0.491644 0.5 ] [ 0 0.997139 0.5 ] [ 0.629207 0.379875 0.873098 ] [ 0.370793 0.379875 0.126902 ] [ 0.5 0.753012 0 ] [ 0.237457 0.767244 0.506094 ] [ 0.989922 0.993047 0.26901 ] [ 0.010078 0.993047 0.73099 ] [ 0.234307 0.223504 0.506918 ] [ 0.256539 0.285516 0.038112 ] [ 0.743461 0.285516 0.961888 ] [ 0.528109 0.460364 0.76652 ] [ 0.471891 0.460364 0.23348 ] [ 0.304103 0.769792 0.991108 ] [ 0.695897 0.769792 0.008892 ] [ 0.762543 0.767244 0.493906 ] [ 0.765693 0.223504 0.493082 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Na" "Na" "Fe" "H" "H" "H" "F" "F" "F" "F" "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" 5.88180094 "source-unit" "angstrom" } "b" { "source-value" 6.13850625 "source-unit" "angstrom" } "c" { "source-value" 8.54935371 "source-unit" "angstrom" } "beta" { "source-value" 94.00431887 "source-unit" "degree" } }