{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.186471 0.927312 ] [ 0.25 0.813529 0.072688 ] [ 0.75 0.686471 0.572688 ] [ 0.25 0.313529 0.427312 ] [ 0.75 0.027155 0.29183 ] [ 0.25 0.972845 0.70817 ] [ 0.75 0.527155 0.20817 ] [ 0.25 0.472845 0.79183 ] [ 0.75 0.709198 0.896266 ] [ 0.25 0.290802 0.103734 ] [ 0.75 0.209198 0.603734 ] [ 0.25 0.790802 0.396266 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Al" "Al" "Al" "Al" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.11495571 "source-unit" "angstrom" } "b" { "source-value" 6.60678035 "source-unit" "angstrom" } "c" { "source-value" 9.49106231 "source-unit" "angstrom" } }