{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.02996 0.253189 0.239657 ] [ 0.52996 0.246811 0.739657 ] [ 0.52996 0.753189 0.239657 ] [ 0.02996 0.746811 0.739657 ] [ 0.295527 0.246877 0.984324 ] [ 0.795527 0.253123 0.484324 ] [ 0.795527 0.746877 0.984324 ] [ 0.295527 0.753123 0.484324 ] [ 0.538656 0.162475 0.195519 ] [ 0.357273 0.508821 0.830092 ] [ 0.357273 0.491179 0.330092 ] [ 0.038656 0.337525 0.695519 ] [ 0.269747 0.078304 0.642214 ] [ 0.269747 0.921696 0.142214 ] [ 0.038656 0.662475 0.195519 ] [ 0.857273 0.008821 0.830092 ] [ 0.857273 0.991179 0.330092 ] [ 0.538656 0.837525 0.695519 ] [ 0.769747 0.578304 0.642214 ] [ 0.769747 0.421696 0.142214 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Pb" "Pb" "Pb" "Pb" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.54540351 "source-unit" "angstrom" } "b" { "source-value" 6.88296377 "source-unit" "angstrom" } "c" { "source-value" 6.61652229 "source-unit" "angstrom" } "beta" { "source-value" 123.87820859 "source-unit" "degree" } }