{ "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" [ [ 0.25 0.637264 0.906682 ] [ 0.75 0.362736 0.093318 ] [ 0.25 0.137264 0.593318 ] [ 0.75 0.862736 0.406682 ] [ 0.25 0.977933 0.821784 ] [ 0.75 0.022067 0.178216 ] [ 0.25 0.477933 0.678216 ] [ 0.75 0.522067 0.321784 ] [ 0.25 0.691074 0.138936 ] [ 0.75 0.308926 0.861064 ] [ 0.25 0.191074 0.361064 ] [ 0.75 0.808926 0.638936 ] [ 0.75 0.42405 0.497907 ] [ 0.25 0.07595 0.997907 ] [ 0.75 0.92405 0.002093 ] [ 0.25 0.57595 0.502093 ] [ 0.25 0.983905 0.305315 ] [ 0.75 0.016095 0.694685 ] [ 0.25 0.483905 0.194685 ] [ 0.75 0.516095 0.805315 ] [ 0.25 0.892544 0.536673 ] [ 0.75 0.107456 0.463327 ] [ 0.25 0.392544 0.963327 ] [ 0.75 0.607456 0.036673 ] [ 0.25 0.681889 0.386071 ] [ 0.75 0.818111 0.886071 ] [ 0.25 0.181889 0.113929 ] [ 0.75 0.318111 0.613929 ] [ 0.75 0.601059 0.5767 ] [ 0.25 0.398941 0.4233 ] [ 0.75 0.101059 0.9233 ] [ 0.25 0.898941 0.0767 ] [ 0.75 0.760017 0.228935 ] [ 0.25 0.239983 0.771065 ] [ 0.75 0.260017 0.271065 ] [ 0.25 0.739983 0.728935 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "In" "In" "In" "In" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.13940865 "source-unit" "angstrom" } "b" { "source-value" 12.25927266 "source-unit" "angstrom" } "c" { "source-value" 17.59535398 "source-unit" "angstrom" } }