{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.767758 0.510289 0.210026 ] [ 0.232242 0.010289 0.789974 ] [ 0.222489 0.238119 0.338829 ] [ 0.777511 0.738119 0.661171 ] [ 0.272715 0.260439 0.078187 ] [ 0.727285 0.760439 0.921813 ] [ 0.274113 0.743732 0.427731 ] [ 0.725887 0.243732 0.572269 ] [ 0.682668 0.757209 0.051838 ] [ 0.052123 0.255005 0.138221 ] [ 0.456882 0.267012 0.185741 ] [ 0.215579 0.924994 0.33435 ] [ 0.190903 0.560274 0.341661 ] [ 0.865645 0.255716 0.435143 ] [ 0.547242 0.729361 0.462208 ] [ 0.452758 0.229361 0.537792 ] [ 0.134355 0.755716 0.564857 ] [ 0.809097 0.060274 0.658339 ] [ 0.784421 0.424994 0.66565 ] [ 0.543118 0.767012 0.814259 ] [ 0.947877 0.755005 0.861779 ] [ 0.317332 0.257209 0.948162 ] ] } "species" { "source-value" [ "Na" "Na" "V" "V" "C" "C" "S" "S" "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" 5.34239395 "source-unit" "angstrom" } "b" { "source-value" 6.49918688 "source-unit" "angstrom" } "c" { "source-value" 9.19829139 "source-unit" "angstrom" } "beta" { "source-value" 91.81774946 "source-unit" "degree" } }