{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.346209 0.75 ] [ 0 0.653791 0.25 ] [ 0.5 0.846209 0.75 ] [ 0.5 0.153791 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.780546 0.081292 0.75 ] [ 0.219454 0.918708 0.25 ] [ 0.219454 0.081292 0.75 ] [ 0.780546 0.918708 0.25 ] [ 0.280546 0.581292 0.75 ] [ 0.719454 0.418708 0.25 ] [ 0.719454 0.581292 0.75 ] [ 0.280546 0.418708 0.25 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ni" "Ni" "Ni" "Ni" "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" 5.82161727698 "source-unit" "angstrom" } "b" { "source-value" 9.32382877789 "source-unit" "angstrom" } "c" { "source-value" 4.78157369 "source-unit" "angstrom" } }