{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ibmm" } "basis-atom-coordinates" { "source-value" [ [ 0.499594 0.5 0.75 ] [ 0.000406 0 0.75 ] [ 0.999594 0 0.25 ] [ 0.500406 0.5 0.25 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.25 0.25 0.996482 ] [ 0.75 0.25 0.003518 ] [ 0.75 0.75 0.003518 ] [ 0.25 0.75 0.996482 ] [ 0.501171 0 0.75 ] [ 0.998829 0.5 0.75 ] [ 0.75 0.75 0.496482 ] [ 0.25 0.75 0.503518 ] [ 0.25 0.25 0.503518 ] [ 0.75 0.25 0.496482 ] [ 0.001171 0.5 0.25 ] [ 0.498829 0 0.25 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ru" "Ru" "Ru" "Ru" "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" 5.18407637 "source-unit" "angstrom" } "b" { "source-value" 5.18836642 "source-unit" "angstrom" } "c" { "source-value" 13.26736874 "source-unit" "angstrom" } }