{ "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" [ [ 0.202361 0.5 0.287061 ] [ 0.096617 0.5 0.704142 ] [ 0.89962 0.5 0.282256 ] [ 0.702361 0 0.287061 ] [ 0.596617 0 0.704142 ] [ 0.39962 0 0.282256 ] [ 0.79434 0.5 0.697876 ] [ 0.29434 0 0.697876 ] [ 0.867874 0 0.307427 ] [ 0.752918 0 0.633241 ] [ 0.141143 0.5 0.015294 ] [ 0.052063 0.5 0.362927 ] [ 0.946535 0.5 0.639208 ] [ 0.867317 0.5 0.013398 ] [ 0.243944 0 0.344083 ] [ 0.135268 0 0.713087 ] [ 0.367874 0.5 0.307427 ] [ 0.252918 0.5 0.633241 ] [ 0.641143 0 0.015294 ] [ 0.552063 0 0.362927 ] [ 0.446535 0 0.639208 ] [ 0.367317 0 0.013398 ] [ 0.743944 0.5 0.344083 ] [ 0.635268 0.5 0.713087 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.19925064 "source-unit" "angstrom" } "b" { "source-value" 3.8062383 "source-unit" "angstrom" } "c" { "source-value" 6.52669386 "source-unit" "angstrom" } "beta" { "source-value" 106.83746367 "source-unit" "degree" } }