{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.62848 ] [ 0.5 0.25 0.87152 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.75 0.12848 ] [ 0 0.75 0.37152 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.5 0.508455 0.739712 ] [ 0.235272 0.25 0.002518 ] [ 0.5 0.991545 0.739712 ] [ 0.764728 0.25 0.002518 ] [ 0.735272 0.25 0.497482 ] [ 0 0.508455 0.760288 ] [ 0.264728 0.25 0.497482 ] [ 0 0.991545 0.760288 ] [ 0 0.008455 0.239712 ] [ 0.735272 0.75 0.502518 ] [ 0 0.491545 0.239712 ] [ 0.264728 0.75 0.502518 ] [ 0.235272 0.75 0.997482 ] [ 0.5 0.008455 0.260288 ] [ 0.764728 0.75 0.997482 ] [ 0.5 0.491545 0.260288 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Ni" "Ni" "Ni" "Ni" "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" 5.96273742091 "source-unit" "angstrom" } "b" { "source-value" 5.97153861898 "source-unit" "angstrom" } "c" { "source-value" 8.43496706114 "source-unit" "angstrom" } }