{ "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" [ [ 0.139987 0 0.384456 ] [ 0.871519 0 0.629008 ] [ 0.639987 0.5 0.384456 ] [ 0.371519 0.5 0.629008 ] [ 0.023026 0.5 0.026243 ] [ 0.836081 0.5 0.159673 ] [ 0.167476 0.5 0.836462 ] [ 0.523026 0 0.026243 ] [ 0.336081 0 0.159673 ] [ 0.667476 0 0.836462 ] [ 0.997832 0 0.511425 ] [ 0.102992 0.5 0.112045 ] [ 0.888114 0.5 0.88099 ] [ 0.805717 0.5 0.348652 ] [ 0.197225 0.5 0.651938 ] [ 0.497832 0.5 0.511425 ] [ 0.602992 0 0.112045 ] [ 0.388114 0 0.88099 ] [ 0.305717 0 0.348652 ] [ 0.697225 0 0.651938 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "H" "H" "H" "H" "H" "H" "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" 12.3183846836 "source-unit" "angstrom" } "b" { "source-value" 3.07872366 "source-unit" "angstrom" } "c" { "source-value" 4.84266446375 "source-unit" "angstrom" } "beta" { "source-value" 97.7625026943 "source-unit" "degree" } }