{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/ncm" } "basis-atom-coordinates" { "source-value" [ [ 0.983229 0.983229 0.363175 ] [ 0.516771 0.983229 0.863175 ] [ 0.983229 0.516771 0.863175 ] [ 0.483229 0.016771 0.136825 ] [ 0.016771 0.483229 0.136825 ] [ 0.516771 0.516771 0.363175 ] [ 0.483229 0.483229 0.636825 ] [ 0.016771 0.016771 0.636825 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.25 0.970005 ] [ 0.25 0.25 0.470005 ] [ 0.75 0.75 0.529995 ] [ 0.75 0.75 0.029995 ] [ 0.053801 0.053801 0.179981 ] [ 0.446199 0.053801 0.679981 ] [ 0.053801 0.446199 0.679981 ] [ 0.553801 0.946199 0.320019 ] [ 0.946199 0.553801 0.320019 ] [ 0.446199 0.446199 0.179981 ] [ 0.553801 0.553801 0.820019 ] [ 0.946199 0.946199 0.820019 ] [ 0.75 0.25 0 ] [ 0.25 0.75 0.5 ] [ 0.25 0.75 0 ] [ 0.75 0.25 0.5 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Ni" "Ni" "Ni" "Ni" "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" 5.57569496 "source-unit" "angstrom" } "c" { "source-value" 12.14209081 "source-unit" "angstrom" } }