{ "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" [ [ 0.719616 0.065623 0.870054 ] [ 0.280384 0.934377 0.129946 ] [ 0.393212 0.886234 0.882595 ] [ 0.704813 0.243835 0.221191 ] [ 0.797405 0.364067 0.317401 ] [ 0.606788 0.113766 0.117405 ] [ 0.202595 0.635933 0.682599 ] [ 0.295187 0.756165 0.778809 ] [ 0.377257 0.671197 0.241042 ] [ 0.622743 0.328803 0.758958 ] [ 0.894902 0.780221 0.034035 ] [ 0.105098 0.219779 0.965965 ] [ 0.237271 0.082606 0.369475 ] [ 0.762729 0.917394 0.630525 ] ] } "species" { "source-value" [ "Ti" "Ti" "N" "N" "N" "N" "N" "N" "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" 5.88307638485 "source-unit" "angstrom" } "b" { "source-value" 7.05856759035 "source-unit" "angstrom" } "c" { "source-value" 7.85459640017 "source-unit" "angstrom" } "alpha" { "source-value" 89.8754985157 "source-unit" "degree" } "beta" { "source-value" 96.8599622086 "source-unit" "degree" } "gamma" { "source-value" 101.381030874 "source-unit" "degree" } }