{ "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" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0 0.796603 ] [ 0.5 0 0.203397 ] [ 0 0.5 0.296603 ] [ 0 0.5 0.703397 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.76005 0.150537 ] [ 0 0.23995 0.849463 ] [ 0 0.76005 0.849463 ] [ 0 0.23995 0.150537 ] [ 0 0.5 0.5 ] [ 0.5 0.26005 0.650537 ] [ 0.5 0.73995 0.349463 ] [ 0.5 0.26005 0.349463 ] [ 0.5 0.73995 0.650537 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ho" "Ho" "Ho" "Ho" "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" 3.78935827614 "source-unit" "angstrom" } "b" { "source-value" 5.78512227922 "source-unit" "angstrom" } "c" { "source-value" 11.3822258245 "source-unit" "angstrom" } }