{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.75 ] [ 0.5 0 0.25 ] [ 0.63399 0.205609 0.135948 ] [ 0.794391 0.63399 0.864052 ] [ 0.36601 0.794391 0.135948 ] [ 0.205609 0.36601 0.864052 ] [ 0.13399 0.705609 0.635948 ] [ 0.294391 0.13399 0.364052 ] [ 0.86601 0.294391 0.635948 ] [ 0.705609 0.86601 0.364052 ] ] } "species" { "source-value" [ "Li" "Li" "Sn" "Sn" "P" "P" "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" 5.26558258 "source-unit" "angstrom" } "c" { "source-value" 7.6868468 "source-unit" "angstrom" } }