{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mbc" } "basis-atom-coordinates" { "source-value" [ [ 0.308875 0.808875 0.75 ] [ 0.191125 0.308875 0.25 ] [ 0.808875 0.691125 0.25 ] [ 0.691125 0.191125 0.75 ] [ 0.691125 0.191125 0.25 ] [ 0.808875 0.691125 0.75 ] [ 0.191125 0.308875 0.75 ] [ 0.308875 0.808875 0.25 ] [ 0.153007 0.034262 0 ] [ 0.534262 0.653007 0.5 ] [ 0.846993 0.965738 0 ] [ 0.346993 0.534262 0 ] [ 0.653007 0.465738 0 ] [ 0.034262 0.846993 0.5 ] [ 0.965738 0.153007 0.5 ] [ 0.465738 0.346993 0.5 ] [ 0.096847 0.593264 0 ] [ 0.406736 0.096847 0.5 ] [ 0.593264 0.903153 0.5 ] [ 0.596847 0.906736 0 ] [ 0.403153 0.093264 0 ] [ 0.903153 0.406736 0 ] [ 0.093264 0.596847 0.5 ] [ 0.906736 0.403153 0.5 ] [ 0.177807 0.040009 0.5 ] [ 0.677807 0.459991 0.5 ] [ 0.322193 0.540009 0.5 ] [ 0.959991 0.177807 0 ] [ 0.040009 0.822193 0 ] [ 0.540009 0.677807 0 ] [ 0.822193 0.959991 0.5 ] [ 0.459991 0.322193 0 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.73413622 "source-unit" "angstrom" } "c" { "source-value" 7.195497 "source-unit" "angstrom" } }