{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.82412 0.32412 0 ] [ 0.32412 0.17588 0 ] [ 0.67588 0.82412 0 ] [ 0.17588 0.67588 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.622659 0.122659 0 ] [ 0.122659 0.377341 0 ] [ 0.877341 0.622659 0 ] [ 0.377341 0.877341 0 ] [ 0.070671 0.218593 0.5 ] [ 0.218593 0.929329 0.5 ] [ 0.781407 0.070671 0.5 ] [ 0.929329 0.781407 0.5 ] [ 0.429329 0.718593 0.5 ] [ 0.570671 0.281407 0.5 ] [ 0.718593 0.570671 0.5 ] [ 0.281407 0.429329 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Cr" "Cr" "B" "B" "B" "B" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.3827905 "source-unit" "angstrom" } "c" { "source-value" 3.07598626 "source-unit" "angstrom" } }