{ "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" [ [ 0.75 0.987254 0.175706 ] [ 0.25 0.012746 0.824294 ] [ 0.75 0.826293 0.523814 ] [ 0.25 0.173707 0.476186 ] [ 0.75 0.487254 0.324294 ] [ 0.25 0.673707 0.023814 ] [ 0.75 0.326293 0.976186 ] [ 0.25 0.512746 0.675706 ] [ 0.25 0.755423 0.310523 ] [ 0.25 0.255423 0.189477 ] [ 0.75 0.244577 0.689477 ] [ 0.75 0.744577 0.810523 ] [ 0.75 0.226652 0.279664 ] [ 0.25 0.273348 0.779664 ] [ 0.25 0.433766 0.139498 ] [ 0.75 0.36235 0.55235 ] [ 0.25 0.773348 0.720336 ] [ 0.75 0.566234 0.860502 ] [ 0.75 0.066234 0.639498 ] [ 0.25 0.933766 0.360502 ] [ 0.75 0.726652 0.220336 ] [ 0.25 0.13765 0.05235 ] [ 0.75 0.86235 0.94765 ] [ 0.25 0.63765 0.44765 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Cu" "Cu" "Cu" "Cu" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.46107407 "source-unit" "angstrom" } "b" { "source-value" 13.33082324 "source-unit" "angstrom" } "c" { "source-value" 13.82245816 "source-unit" "angstrom" } }