{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.635383 0.25 0.198981 ] [ 0.364617 0.75 0.801019 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.428793 0.568346 0.301274 ] [ 0.428793 0.931654 0.301274 ] [ 0.294625 0.095391 0.36661 ] [ 0.294625 0.404609 0.36661 ] [ 0.705375 0.595391 0.63339 ] [ 0.705375 0.904609 0.63339 ] [ 0.571207 0.068346 0.698726 ] [ 0.571207 0.431654 0.698726 ] [ 0.854579 0.75 0.308996 ] [ 0.145421 0.25 0.691004 ] [ 0.803005 0.58275 0.178779 ] [ 0.803005 0.91725 0.178779 ] [ 0.328373 0.045404 0.253171 ] [ 0.328373 0.454596 0.253171 ] [ 0.663912 0.75 0.408067 ] [ 0.889364 0.25 0.54069 ] [ 0.110636 0.75 0.45931 ] [ 0.336088 0.25 0.591933 ] [ 0.671627 0.954596 0.746829 ] [ 0.671627 0.545404 0.746829 ] [ 0.196995 0.08275 0.821221 ] [ 0.196995 0.41725 0.821221 ] [ 0.882233 0.25 0.021225 ] [ 0.117767 0.75 0.978775 ] ] } "species" { "source-value" [ "Na" "Na" "Mg" "Mg" "H" "H" "H" "H" "H" "H" "H" "H" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.75266196 "source-unit" "angstrom" } "b" { "source-value" 7.26465703 "source-unit" "angstrom" } "c" { "source-value" 7.27248081 "source-unit" "angstrom" } "beta" { "source-value" 112.44569171 "source-unit" "degree" } }