{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.264673 0.152696 0.5 ] [ 0.152696 0.735327 0.5 ] [ 0.5 0.5 0.5 ] [ 0.735327 0.847304 0.5 ] [ 0.847304 0.264673 0.5 ] [ 0.84137 0.566006 0 ] [ 0.15863 0.433994 0 ] [ 0.433994 0.84137 0 ] [ 0.566006 0.15863 0 ] [ 0 0 0 ] [ 0.38904 0.299297 0 ] [ 0.959406 0.759066 0 ] [ 0.82163 0.565823 0.5 ] [ 0.61096 0.700703 0 ] [ 0.565823 0.17837 0.5 ] [ 0.040594 0.240934 0 ] [ 0.759066 0.040594 0 ] [ 0.700703 0.38904 0 ] [ 0.299297 0.61096 0 ] [ 0.434177 0.82163 0.5 ] [ 0.240934 0.959406 0 ] [ 0 0 0.5 ] [ 0.17837 0.434177 0.5 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "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" 8.47641906836 "source-unit" "angstrom" } "c" { "source-value" 3.83474508 "source-unit" "angstrom" } }