{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.772267 0.784172 0.58773 ] [ 0.772267 0.784172 0.91227 ] [ 0.80852 0.608294 0.25 ] [ 0.69148 0.108294 0.75 ] [ 0.727733 0.284172 0.41227 ] [ 0.727733 0.284172 0.08773 ] [ 0.272267 0.715828 0.58773 ] [ 0.272267 0.715828 0.91227 ] [ 0.30852 0.891706 0.25 ] [ 0.19148 0.391706 0.75 ] [ 0.227733 0.215828 0.08773 ] [ 0.227733 0.215828 0.41227 ] [ 0.751655 0.981706 0.25 ] [ 0.748345 0.481706 0.75 ] [ 0.251655 0.518294 0.25 ] [ 0.248345 0.018294 0.75 ] [ 0.994198 0.194828 0.75 ] [ 0.85741 0.516471 0.478391 ] [ 0.85741 0.516471 0.021609 ] [ 0.962334 0.198827 0.25 ] [ 0.537666 0.698827 0.75 ] [ 0.64259 0.016471 0.978391 ] [ 0.64259 0.016471 0.521609 ] [ 0.505802 0.694828 0.25 ] [ 0.494198 0.305172 0.75 ] [ 0.35741 0.983529 0.478391 ] [ 0.35741 0.983529 0.021609 ] [ 0.462334 0.301173 0.25 ] [ 0.037666 0.801173 0.75 ] [ 0.14259 0.483529 0.978391 ] [ 0.14259 0.483529 0.521609 ] [ 0.005802 0.805172 0.25 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.14167428 "source-unit" "angstrom" } "b" { "source-value" 9.77378427 "source-unit" "angstrom" } "c" { "source-value" 10.10778604 "source-unit" "angstrom" } }