{ "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 0 0 ] [ 0.740215 0.255727 0.242425 ] [ 0.259785 0.744273 0.757575 ] [ 0.027657 0.310807 0.41329 ] [ 0.972343 0.689193 0.58671 ] [ 0.570473 0.431063 0.297201 ] [ 0.393955 0.196467 0.0196 ] [ 0.606045 0.803533 0.9804 ] [ 0.011073 0.963024 0.802491 ] [ 0.988927 0.036976 0.197509 ] [ 0.054565 0.680095 0.101741 ] [ 0.945435 0.319905 0.898259 ] [ 0.481633 0.086834 0.648837 ] [ 0.518367 0.913166 0.351163 ] [ 0.429527 0.568937 0.702799 ] ] } "species" { "source-value" [ "Re" "Te" "Te" "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" 6.76787706927 "source-unit" "angstrom" } "b" { "source-value" 7.23238182042 "source-unit" "angstrom" } "c" { "source-value" 11.306118218 "source-unit" "angstrom" } "alpha" { "source-value" 108.082227733 "source-unit" "degree" } "beta" { "source-value" 88.4177290111 "source-unit" "degree" } "gamma" { "source-value" 116.872402654 "source-unit" "degree" } }