{ "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 0.500688 0.795461 ] [ 0.75 0.499312 0.204539 ] [ 0.25 0.000688 0.704539 ] [ 0.75 0.999312 0.295461 ] [ 0.25 0.827491 0.081294 ] [ 0.75 0.172509 0.918706 ] [ 0.25 0.327491 0.418706 ] [ 0.75 0.672509 0.581294 ] [ 0.25 0.275092 0.082712 ] [ 0.75 0.724908 0.917288 ] [ 0.25 0.775092 0.417288 ] [ 0.75 0.224908 0.582712 ] [ 0.967182 0.789134 0.843514 ] [ 0.467182 0.210866 0.156486 ] [ 0.532818 0.289134 0.656486 ] [ 0.032818 0.710866 0.343514 ] [ 0.032818 0.210866 0.156486 ] [ 0.532818 0.789134 0.843514 ] [ 0.467182 0.710866 0.343514 ] [ 0.967182 0.289134 0.656486 ] [ 0.25 0.191028 0.9434 ] [ 0.75 0.808972 0.0566 ] [ 0.25 0.691028 0.5566 ] [ 0.75 0.308972 0.4434 ] [ 0.75 0.020523 0.573926 ] [ 0.25 0.979477 0.426074 ] [ 0.75 0.520523 0.926074 ] [ 0.25 0.479477 0.073926 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Se" "Se" "Se" "Se" "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" 6.32223262 "source-unit" "angstrom" } "b" { "source-value" 8.15737582 "source-unit" "angstrom" } "c" { "source-value" 11.05610287 "source-unit" "angstrom" } }