{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.165834 0.665834 0.834166 ] [ 0.665834 0.834166 0.165834 ] [ 0.834166 0.165834 0.665834 ] [ 0.334166 0.334166 0.334166 ] [ 0.841392 0.341392 0.158608 ] [ 0.341392 0.158608 0.841392 ] [ 0.158608 0.841392 0.341392 ] [ 0.658608 0.658608 0.658608 ] [ 0.453963 0.953963 0.546037 ] [ 0.953963 0.546037 0.453963 ] [ 0.546037 0.453963 0.953963 ] [ 0.046037 0.046037 0.046037 ] [ 0.591281 0.091281 0.408719 ] [ 0.091281 0.408719 0.591281 ] [ 0.408719 0.591281 0.091281 ] [ 0.908719 0.908719 0.908719 ] [ 0.264559 0.947233 0.063419 ] [ 0.936581 0.764559 0.552767 ] [ 0.447233 0.436581 0.735441 ] [ 0.764559 0.552767 0.936581 ] [ 0.436581 0.735441 0.447233 ] [ 0.947233 0.063419 0.264559 ] [ 0.735441 0.447233 0.436581 ] [ 0.063419 0.264559 0.947233 ] [ 0.552767 0.936581 0.764559 ] [ 0.235441 0.052767 0.563419 ] [ 0.563419 0.235441 0.052767 ] [ 0.052767 0.563419 0.235441 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Mg" "Mg" "Mg" "Mg" "Ni" "Ni" "Ni" "Ni" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.62761345 "source-unit" "angstrom" } }