{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4m2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.95796 ] [ 0 0 0.795359 ] [ 0 0.5 0.04204 ] [ 0 0 0.204641 ] [ 0 0.5 0.45796 ] [ 0.5 0.5 0.295359 ] [ 0.5 0 0.54204 ] [ 0.5 0.5 0.704641 ] ] } "species" { "source-value" [ "Cr" "Cr" "Sb" "Sb" "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" 3.96640477 "source-unit" "angstrom" } "c" { "source-value" 9.66725539 "source-unit" "angstrom" } }