{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.815837 0.5 0.24784 ] [ 0.315843 0 0.750412 ] [ 0.759363 0.5 0.76705 ] [ 0.240877 0.5 0.774273 ] [ 0.749391 0 0.314303 ] [ 0.264015 0 0.2632 ] [ 0.496996 0.698884 0.493991 ] [ 0.995121 0.198304 0.994279 ] [ 0.995121 0.801696 0.994279 ] [ 0.496996 0.301116 0.493991 ] [ 0.002606 0.75041 0.502115 ] [ 0.501916 0.250677 0.001931 ] [ 0.501916 0.749323 0.001931 ] [ 0.002606 0.24959 0.502115 ] [ 0.003982 0.839453 0.691136 ] [ 0.811054 0.662522 0.501562 ] [ 0.192141 0.661237 0.501848 ] [ 0.489745 0.856498 0.494067 ] [ 0.00053 0.837388 0.309889 ] [ 0.504905 0.339068 0.191966 ] [ 0.504905 0.660932 0.191966 ] [ 0.309994 0.163143 0.001444 ] [ 0.69107 0.161256 0.001889 ] [ 0.987982 0.355861 0.992609 ] [ 0.987982 0.644138 0.992609 ] [ 0.309994 0.836857 0.001444 ] [ 0.69107 0.838744 0.001889 ] [ 0.49906 0.337917 0.809628 ] [ 0.49906 0.662083 0.809628 ] [ 0.003982 0.160547 0.691136 ] [ 0.489745 0.143502 0.494067 ] [ 0.811054 0.337478 0.501562 ] [ 0.192141 0.338763 0.501848 ] [ 0.00053 0.162612 0.309889 ] [ 0.507932 0.5 0.506969 ] [ 0.007847 0 0.007967 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "V" "V" "V" "V" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.47986597 "source-unit" "angstrom" } "b" { "source-value" 10.63429517 "source-unit" "angstrom" } "c" { "source-value" 6.48215294 "source-unit" "angstrom" } "beta" { "source-value" 90.07319201 "source-unit" "degree" } }