{ "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 0.5 0.25 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.757399 ] [ 0.690792 0.206343 0.020004 ] [ 0.206343 0.309208 0.979996 ] [ 0.5 0.5 0.242601 ] [ 0.793657 0.690792 0.979996 ] [ 0.309208 0.793657 0.020004 ] [ 0 0 0.257399 ] [ 0.190792 0.706343 0.520004 ] [ 0.706343 0.809208 0.479996 ] [ 0 0 0.742601 ] [ 0.293657 0.190792 0.479996 ] [ 0.809208 0.293657 0.520004 ] ] } "species" { "source-value" [ "Ba" "Ba" "La" "La" "Zn" "Zn" "Ru" "Ru" "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" 5.65763194 "source-unit" "angstrom" } "c" { "source-value" 8.23313136 "source-unit" "angstrom" } }