{ "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" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.423069 0.29483 0.290931 ] [ 0.576931 0.70517 0.709069 ] [ 0.256932 0.140819 0.727376 ] [ 0.743068 0.859181 0.272624 ] [ 0.849272 0.382712 0.741204 ] [ 0.150728 0.617288 0.258796 ] ] } "species" { "source-value" [ "Ti" "Ag" "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" 5.26291985268 "source-unit" "angstrom" } "b" { "source-value" 5.45788281507 "source-unit" "angstrom" } "c" { "source-value" 5.61679348509 "source-unit" "angstrom" } "alpha" { "source-value" 116.578628566 "source-unit" "degree" } "beta" { "source-value" 89.5900201925 "source-unit" "degree" } "gamma" { "source-value" 118.695931596 "source-unit" "degree" } }