{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.332264 ] [ 0.5 0.5 0.832264 ] [ 0.5 0.5 0.167736 ] [ 0 0 0.667736 ] [ 0.696978 0.696978 0.670789 ] [ 0.303022 0.303022 0.670789 ] [ 0.696978 0.696978 0.329211 ] [ 0.196978 0.803022 0.170789 ] [ 0.803022 0.196978 0.170789 ] [ 0.803022 0.196978 0.829211 ] [ 0.309485 0.309485 0 ] [ 0.190515 0.809485 0.5 ] [ 0.809485 0.190515 0.5 ] [ 0.196978 0.803022 0.829211 ] [ 0.303022 0.303022 0.329211 ] [ 0.690515 0.690515 0 ] ] } "species" { "source-value" [ "Ni" "Ni" "Sb" "Sb" "Sb" "Sb" "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" 4.7179708 "source-unit" "angstrom" } "c" { "source-value" 9.36350549 "source-unit" "angstrom" } }