{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/nmc" } "basis-atom-coordinates" { "source-value" [ [ 0.152816 0.75 0.648372 ] [ 0.75 0.152816 0.148372 ] [ 0.75 0.347184 0.148372 ] [ 0.25 0.847184 0.851628 ] [ 0.25 0.652816 0.851628 ] [ 0.347184 0.75 0.648372 ] [ 0.652816 0.25 0.351628 ] [ 0.847184 0.25 0.351628 ] [ 0.25 0.008837 0.022064 ] [ 0.008837 0.25 0.522064 ] [ 0.491163 0.25 0.522064 ] [ 0.75 0.508837 0.977936 ] [ 0.75 0.991163 0.977936 ] [ 0.25 0.491163 0.022064 ] [ 0.508837 0.75 0.477936 ] [ 0.991163 0.75 0.477936 ] ] } "species" { "source-value" [ "B" "B" "B" "B" "B" "B" "B" "B" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.6907264 "source-unit" "angstrom" } "c" { "source-value" 5.88004628 "source-unit" "angstrom" } }