{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.796671 ] [ 0 0.5 0.203329 ] [ 0.5 0 0.296671 ] [ 0.5 0 0.703329 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.259447 0.850632 ] [ 0.5 0.740553 0.149368 ] [ 0.5 0.259447 0.149368 ] [ 0.5 0.740553 0.850632 ] [ 0 0.5 0 ] [ 0 0.759447 0.350632 ] [ 0 0.240553 0.649368 ] [ 0 0.759447 0.649368 ] [ 0 0.240553 0.350632 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Y" "Y" "Y" "Y" "Ni" "Ni" "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" 3.80304591067 "source-unit" "angstrom" } "b" { "source-value" 5.81773960446 "source-unit" "angstrom" } "c" { "source-value" 11.4577912029 "source-unit" "angstrom" } }