{ "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" [ [ 0.317664 0.182336 0 ] [ 0.682336 0.817664 0 ] [ 0.182336 0.682336 0 ] [ 0.817664 0.317664 0 ] [ 0.5 0.5 0.797284 ] [ 0.086933 0.413067 0.5 ] [ 0.586933 0.086933 0.5 ] [ 0.676375 0.538546 0.5 ] [ 0.913067 0.586933 0.5 ] [ 0.461454 0.676375 0.5 ] [ 0 0 0.202716 ] [ 0.5 0.5 0.202716 ] [ 0 0 0.797284 ] [ 0.823625 0.038546 0.5 ] [ 0.413067 0.913067 0.5 ] [ 0.961454 0.823625 0.5 ] [ 0.323625 0.461454 0.5 ] [ 0.538546 0.323625 0.5 ] [ 0.038546 0.176375 0.5 ] [ 0.176375 0.961454 0.5 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.08618638 "source-unit" "angstrom" } "c" { "source-value" 4.00815286 "source-unit" "angstrom" } }