{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mcc" } "basis-atom-coordinates" { "source-value" [ [ 0.336919 0.155331 0.5 ] [ 0.663081 0.844669 0.5 ] [ 0.155331 0.663081 0.5 ] [ 0.844669 0.336919 0.5 ] [ 0.336919 0.844669 0 ] [ 0.844669 0.663081 0 ] [ 0.155331 0.336919 0 ] [ 0.663081 0.155331 0 ] [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] [ 0 0 0.75 ] [ 0 0 0.25 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Si" "Si" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.25992087 "source-unit" "angstrom" } "c" { "source-value" 4.97417319 "source-unit" "angstrom" } }