{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.388354 0.361525 0.320739 ] [ 0.611646 0.638475 0.679261 ] [ 0.048422 0.193264 0.778247 ] [ 0.951578 0.806736 0.221753 ] [ 0.377674 0.576636 0.216895 ] [ 0.622326 0.423364 0.783105 ] [ 0.420464 0.160672 0.440902 ] [ 0.579536 0.839328 0.559098 ] [ 0.065208 0.281568 0.243979 ] [ 0.934792 0.718432 0.756021 ] [ 0.520223 0.230484 0.125341 ] [ 0.479777 0.769516 0.874659 ] [ 0.290067 0.517753 0.549153 ] [ 0.709933 0.482247 0.450847 ] [ 0.945605 0.203668 0.591478 ] [ 0.054395 0.796332 0.408522 ] [ 0.243019 0.063509 0.769227 ] [ 0.756981 0.936491 0.230773 ] [ 0.853631 0.113392 0.872994 ] [ 0.146369 0.886608 0.127006 ] [ 0.15175 0.388547 0.880191 ] [ 0.84825 0.611453 0.119809 ] ] } "species" { "source-value" [ "Sn" "Sn" "P" "P" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.3545742342 "source-unit" "angstrom" } "b" { "source-value" 9.32641337456 "source-unit" "angstrom" } "c" { "source-value" 9.93692315014 "source-unit" "angstrom" } "alpha" { "source-value" 100.845694239 "source-unit" "degree" } "beta" { "source-value" 96.0309490479 "source-unit" "degree" } "gamma" { "source-value" 95.5554041004 "source-unit" "degree" } }