{ "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 0.016693 0.596834 ] [ 0.25 0.983307 0.403166 ] [ 0.75 0.516693 0.903166 ] [ 0.25 0.483307 0.096834 ] [ 0.25 0.816441 0.773643 ] [ 0.75 0.183559 0.226357 ] [ 0.25 0.316441 0.726357 ] [ 0.75 0.683559 0.273643 ] [ 0.25 0.133728 0.931774 ] [ 0.75 0.866272 0.068226 ] [ 0.25 0.633728 0.568226 ] [ 0.75 0.366272 0.431774 ] [ 0.75 0.601333 0.702306 ] [ 0.25 0.398667 0.297694 ] [ 0.75 0.101333 0.797694 ] [ 0.25 0.898667 0.202306 ] [ 0.25 0.762909 0.950966 ] [ 0.75 0.237091 0.049034 ] [ 0.25 0.262909 0.549034 ] [ 0.75 0.737091 0.450966 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.78836894 "source-unit" "angstrom" } "b" { "source-value" 5.48244966 "source-unit" "angstrom" } "c" { "source-value" 11.5101002 "source-unit" "angstrom" } }