{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.641485 0 0.778958 ] [ 0.358515 0 0.221042 ] [ 0.141485 0.5 0.778958 ] [ 0.858515 0.5 0.221042 ] [ 0.966878 0.732989 0.20245 ] [ 0.285361 0 0.401486 ] [ 0.75872 0 0.935472 ] [ 0.714639 0 0.598514 ] [ 0.966878 0.267011 0.20245 ] [ 0.24128 0 0.064528 ] [ 0.033122 0.267011 0.79755 ] [ 0.033122 0.732989 0.79755 ] [ 0.466878 0.232989 0.20245 ] [ 0.785361 0.5 0.401486 ] [ 0.25872 0.5 0.935472 ] [ 0.214639 0.5 0.598514 ] [ 0.466878 0.767011 0.20245 ] [ 0.74128 0.5 0.064528 ] [ 0.533122 0.767011 0.79755 ] [ 0.533122 0.232989 0.79755 ] ] } "species" { "source-value" [ "Na" "Na" "V" "V" "S" "S" "S" "S" "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" 8.22829222452 "source-unit" "angstrom" } "b" { "source-value" 5.22822319796 "source-unit" "angstrom" } "c" { "source-value" 7.25690922698 "source-unit" "angstrom" } "beta" { "source-value" 90.7150154332 "source-unit" "degree" } }