{ "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" [ [ 0.861758 0.734908 0.289776 ] [ 0.138242 0.265092 0.710224 ] [ 0.703633 0.663153 0.834737 ] [ 0.296367 0.336847 0.165263 ] [ 0.112717 0.743291 0.470424 ] [ 0.887283 0.256709 0.529576 ] [ 0.722281 0.496802 0.28808 ] [ 0.277719 0.503198 0.71192 ] [ 0.000196 0.945283 0.274034 ] [ 0.999804 0.054717 0.725966 ] [ 0.089217 0.601084 0.170821 ] [ 0.910783 0.398916 0.829179 ] [ 0.607144 0.692596 0.087218 ] [ 0.392856 0.307404 0.912782 ] [ 0.621942 0.844374 0.383534 ] [ 0.378058 0.155626 0.616466 ] [ 0.032919 0.794233 0.934029 ] [ 0.967081 0.205767 0.065971 ] [ 0.722567 0.634513 0.634594 ] [ 0.277433 0.365487 0.365406 ] [ 0.525929 0.871644 0.840485 ] [ 0.474071 0.128356 0.159515 ] ] } "species" { "source-value" [ "Ta" "Ta" "Te" "Te" "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" 6.67381818688 "source-unit" "angstrom" } "b" { "source-value" 9.69504220643 "source-unit" "angstrom" } "c" { "source-value" 11.7686277653 "source-unit" "angstrom" } "alpha" { "source-value" 106.23343006 "source-unit" "degree" } "beta" { "source-value" 105.75776471 "source-unit" "degree" } "gamma" { "source-value" 91.0076684097 "source-unit" "degree" } }