{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.819088 0.883107 0.751201 ] [ 0.180912 0.116893 0.751201 ] [ 0.883107 0.180912 0.751201 ] [ 0.633862 0.06035 0 ] [ 0.06035 0.366138 0 ] [ 0.93965 0.633862 0 ] [ 0.366138 0.93965 0 ] [ 0.116893 0.819088 0.751201 ] [ 0.116893 0.819088 0.248799 ] [ 0.819088 0.883107 0.248799 ] [ 0.180912 0.116893 0.248799 ] [ 0.883107 0.180912 0.248799 ] [ 0.319088 0.383107 0.251201 ] [ 0.680912 0.616893 0.251201 ] [ 0.383107 0.680912 0.251201 ] [ 0.133862 0.56035 0.5 ] [ 0.56035 0.866138 0.5 ] [ 0.43965 0.133862 0.5 ] [ 0.866138 0.43965 0.5 ] [ 0.616893 0.319088 0.251201 ] [ 0.616893 0.319088 0.748799 ] [ 0.319088 0.383107 0.748799 ] [ 0.680912 0.616893 0.748799 ] [ 0.383107 0.680912 0.748799 ] [ 0 0 0 ] [ 0.694568 0.086872 0.5 ] [ 0.086872 0.305432 0.5 ] [ 0.913128 0.694568 0.5 ] [ 0.305432 0.913128 0.5 ] [ 0.5 0.5 0.5 ] [ 0.194568 0.586872 0 ] [ 0.586872 0.805432 0 ] [ 0.413128 0.194568 0 ] [ 0.805432 0.413128 0 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.62873772984 "source-unit" "angstrom" } "c" { "source-value" 5.03646279405 "source-unit" "angstrom" } }