{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.821087 0.678913 0.5 ] [ 0.178913 0.321087 0.5 ] [ 0.678913 0.178913 0.5 ] [ 0.321087 0.821087 0.5 ] [ 0.618154 0.881846 0 ] [ 0.381846 0.118154 0 ] [ 0.881846 0.381846 0 ] [ 0.118154 0.618154 0 ] ] } "species" { "source-value" [ "Li" "Li" "Y" "Y" "Y" "Y" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.16103127 "source-unit" "angstrom" } "c" { "source-value" 4.18712534 "source-unit" "angstrom" } }