{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.983266 0.5 0.996709 ] [ 0.966335 0 0.426374 ] [ 0.483266 0 0.996709 ] [ 0.466335 0.5 0.426374 ] [ 0.771771 0 0.051615 ] [ 0.271771 0.5 0.051615 ] [ 0.750881 0 0.449245 ] [ 0.010389 0.723995 0.999235 ] [ 0.508903 0.72023 0.52076 ] [ 0.766379 0.5 0.987835 ] [ 0.508903 0.27977 0.52076 ] [ 0.510389 0.776005 0.999235 ] [ 0.739398 0.5 0.538245 ] [ 0.250881 0.5 0.449245 ] [ 0.510389 0.223995 0.999235 ] [ 0.008903 0.22023 0.52076 ] [ 0.266379 0 0.987835 ] [ 0.008903 0.77977 0.52076 ] [ 0.010389 0.276005 0.999235 ] [ 0.239398 0 0.538245 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "O" "O" "F" "F" "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" 8.59532259 "source-unit" "angstrom" } "b" { "source-value" 7.9021764 "source-unit" "angstrom" } "c" { "source-value" 6.03280131 "source-unit" "angstrom" } "beta" { "source-value" 133.89031721 "source-unit" "degree" } }