{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.241586 ] [ 0 0 0.758414 ] [ 0 0.5 0.758414 ] [ 0 0.5 0.241586 ] [ 0.5 0.5 0.268911 ] [ 0.5 0 0.731089 ] [ 0.5 0.5 0.731089 ] [ 0.5 0 0.268911 ] [ 0.252637 0.75 0.5 ] [ 0.747363 0.25 0.5 ] [ 0.745755 0.75 0.5 ] [ 0.254245 0.25 0.5 ] [ 0.272205 0.75 0 ] [ 0.262664 0.25 0 ] [ 0.737336 0.75 0 ] [ 0.727795 0.25 0 ] [ 0.301712 0.75 0.237017 ] [ 0.301712 0.75 0.762983 ] [ 0.698288 0.25 0.762983 ] [ 0.698288 0.25 0.237017 ] [ 0.689943 0.75 0.228577 ] [ 0.689943 0.75 0.771423 ] [ 0.310057 0.25 0.771423 ] [ 0.310057 0.25 0.228577 ] [ 0.721072 0.997194 0.5 ] [ 0.721072 0.502806 0.5 ] [ 0.278928 0.497194 0.5 ] [ 0.278928 0.002806 0.5 ] [ 0.68256 0.006199 0 ] [ 0.68256 0.493801 0 ] [ 0.31744 0.506199 0 ] [ 0.31744 0.993801 0 ] [ 0.00973 0.25 0 ] [ 0.99027 0.75 0 ] [ 0.990566 0.25 0.5 ] [ 0.494353 0.75 0.5 ] [ 0.505647 0.25 0.5 ] [ 0.009434 0.75 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ho" "Ho" "Ho" "Ho" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.59967785 "source-unit" "angstrom" } "b" { "source-value" 7.80002965 "source-unit" "angstrom" } "c" { "source-value" 7.89930439 "source-unit" "angstrom" } }