{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.944312 ] [ 0.5 0 0.055688 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.231619 0.5 0.245143 ] [ 0 0.268381 0.245143 ] [ 0 0.731619 0.245143 ] [ 0.768381 0.5 0.245143 ] [ 0.268381 0 0.754857 ] [ 0.731619 0 0.754857 ] [ 0.5 0.231619 0.754857 ] [ 0.5 0.768381 0.754857 ] [ 0.263628 0.5 0.74235 ] [ 0 0.236372 0.74235 ] [ 0 0.763628 0.74235 ] [ 0.736372 0.5 0.74235 ] [ 0.236372 0 0.25765 ] [ 0.763628 0 0.25765 ] [ 0.5 0.263628 0.25765 ] [ 0.5 0.736372 0.25765 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "H" "H" "H" "H" "H" "H" "H" "H" "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" 8.08426599 "source-unit" "angstrom" } "c" { "source-value" 5.71151625 "source-unit" "angstrom" } }