{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0 ] [ 0 0.106342 0.25 ] [ 0 0.893658 0.75 ] [ 0.34622 0.961754 0.105082 ] [ 0.65378 0.961754 0.394918 ] [ 0.65378 0.038246 0.894918 ] [ 0.34622 0.038246 0.605082 ] [ 0.173842 0.796647 0.184629 ] [ 0.826158 0.796647 0.315371 ] [ 0.904344 0.797575 0.002205 ] [ 0.095656 0.797575 0.497795 ] [ 0.095656 0.202425 0.997795 ] [ 0.904344 0.202425 0.502205 ] [ 0.173842 0.203353 0.684629 ] [ 0.826158 0.203353 0.815371 ] [ 0.5 0.606342 0.25 ] [ 0.5 0.393658 0.75 ] [ 0.84622 0.461754 0.105082 ] [ 0.15378 0.461754 0.394918 ] [ 0.15378 0.538246 0.894918 ] [ 0.84622 0.538246 0.605082 ] [ 0.673842 0.296647 0.184629 ] [ 0.326158 0.296647 0.315371 ] [ 0.404344 0.297575 0.002205 ] [ 0.595656 0.297575 0.497795 ] [ 0.595656 0.702425 0.997795 ] [ 0.404344 0.702425 0.502205 ] [ 0.673842 0.703353 0.684629 ] [ 0.326158 0.703353 0.815371 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 12.2451908084 "source-unit" "angstrom" } "b" { "source-value" 7.44852139628 "source-unit" "angstrom" } "c" { "source-value" 6.99487402453 "source-unit" "angstrom" } "beta" { "source-value" 120.235469093 "source-unit" "degree" } }