{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.123473 0.56653 0.947323 ] [ 0.627753 0.260493 0.292676 ] [ 0.614052 0.238692 0.541762 ] [ 0.872156 0.743385 0.399698 ] [ 0.309195 0.61662 0.201684 ] [ 0.559378 0.097201 0.057901 ] [ 0.993987 0.996923 0.749763 ] [ 0.025475 0.033068 0.000687 ] [ 0.330282 0.656595 0.837982 ] [ 0.633983 0.315345 0.663892 ] [ 0.944277 0.888735 0.511593 ] [ 0.323251 0.647394 0.332537 ] [ 0.643004 0.272753 0.17082 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Bi" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.79989034 "source-unit" "angstrom" } "b" { "source-value" 3.90297667 "source-unit" "angstrom" } "c" { "source-value" 19.09071363 "source-unit" "angstrom" } "alpha" { "source-value" 91.88877445 "source-unit" "degree" } "beta" { "source-value" 90.38500307 "source-unit" "degree" } "gamma" { "source-value" 117.49555958 "source-unit" "degree" } }