{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.890354 ] [ 0.5 0 0.75 ] [ 0.5 0.5 0.109646 ] [ 0 0.5 0.75 ] [ 0 0 0.390354 ] [ 0 0.5 0.25 ] [ 0 0 0.609646 ] [ 0.5 0 0.25 ] [ 0 0.294309 0 ] [ 0 0 0.139235 ] [ 0.294309 0 0 ] [ 0 0.705691 0 ] [ 0 0 0.860765 ] [ 0.705691 0 0 ] [ 0.5 0.794309 0.5 ] [ 0.5 0.5 0.639235 ] [ 0.794309 0.5 0.5 ] [ 0.5 0.205691 0.5 ] [ 0.5 0.5 0.360765 ] [ 0.205691 0.5 0.5 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.21471712071 "source-unit" "angstrom" } "c" { "source-value" 14.9614083223 "source-unit" "angstrom" } }