{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmca" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.755343 0.99729 ] [ 0.75 0.755343 0.50271 ] [ 0.75 0.244657 0.00271 ] [ 0.25 0.244657 0.49729 ] [ 0.75 0.1873 0.5625 ] [ 0.25 0.8127 0.4375 ] [ 0.25 0.1873 0.9375 ] [ 0.75 0.8127 0.0625 ] [ 0.75 0.330238 0.411999 ] [ 0.75 0.669762 0.911999 ] [ 0.25 0.330238 0.088001 ] [ 0.25 0.669762 0.588001 ] [ 0.75 0.913694 0.173635 ] [ 0.75 0.086306 0.673635 ] [ 0.25 0.913694 0.326365 ] [ 0.25 0.086306 0.826365 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "C" "C" "C" "C" "S" "S" "S" "S" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.75378484078 "source-unit" "angstrom" } "b" { "source-value" 7.83221460415 "source-unit" "angstrom" } "c" { "source-value" 8.01055858806 "source-unit" "angstrom" } }