{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.808731 ] [ 0.5 0.25 0.191269 ] [ 0.5 0.451138 0.866326 ] [ 0.5 0.548862 0.133674 ] [ 0.5 0.951138 0.133674 ] [ 0.5 0.048862 0.866326 ] [ 0.5 0.369166 0.650948 ] [ 0.5 0.630834 0.349053 ] [ 0.5 0.869166 0.349053 ] [ 0.5 0.130834 0.650948 ] [ 0.5 0.75 0.040343 ] [ 0.5 0.25 0.959657 ] [ 0.5 0.883306 0.593738 ] [ 0.5 0.116694 0.406262 ] [ 0.5 0.383306 0.406262 ] [ 0.5 0.616694 0.593738 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.75 0.182005 ] [ 0 0.25 0.817995 ] [ 0 0.75 0.528018 ] [ 0 0.25 0.471982 ] [ 0 0.87369 0.962505 ] [ 0 0.12631 0.037495 ] [ 0 0.37369 0.037495 ] [ 0 0.62631 0.962505 ] [ 0 0.923215 0.720568 ] [ 0 0.076785 0.279432 ] [ 0 0.423215 0.279432 ] [ 0 0.576785 0.720568 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "B" "B" "B" "B" "B" "B" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.86281917 "source-unit" "angstrom" } "b" { "source-value" 11.1308682 "source-unit" "angstrom" } "c" { "source-value" 11.84137178 "source-unit" "angstrom" } }