{ "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" [ [ 0.729643 0.319015 0.101966 ] [ 0.270357 0.680985 0.898034 ] [ 0.868511 0.042825 0.66746 ] [ 0.131489 0.957175 0.33254 ] [ 0.429171 0.549541 0.315357 ] [ 0.570829 0.450459 0.684643 ] [ 0.762904 0.707789 0.914172 ] [ 0.237096 0.292211 0.085828 ] [ 0.513203 0.886779 0.264985 ] [ 0.486797 0.113221 0.735015 ] [ 0.226505 0.462811 0.493462 ] [ 0.773495 0.537189 0.506538 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Ge" "Ge" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.09330987234 "source-unit" "angstrom" } "b" { "source-value" 7.2394924449 "source-unit" "angstrom" } "c" { "source-value" 8.9597138617 "source-unit" "angstrom" } "alpha" { "source-value" 89.5857186611 "source-unit" "degree" } "beta" { "source-value" 111.770990742 "source-unit" "degree" } "gamma" { "source-value" 113.552015417 "source-unit" "degree" } }