{ "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" [ [ 0.988143 0.312817 0.652933 ] [ 0.011857 0.687183 0.347067 ] [ 0.319339 0.159843 0.20896 ] [ 0.680661 0.840157 0.79104 ] [ 0.436561 0.772507 0.069028 ] [ 0.563439 0.227493 0.930972 ] [ 0.605505 0.559303 0.683926 ] [ 0.699375 0.879424 0.58527 ] [ 0.300625 0.120576 0.41473 ] [ 0.394495 0.440697 0.316074 ] [ 0.222147 0.764546 0.699633 ] [ 0.777853 0.235454 0.300367 ] ] } "species" { "source-value" [ "Rb" "Rb" "Sb" "Sb" "Br" "Br" "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" 4.56521641807 "source-unit" "angstrom" } "b" { "source-value" 7.87781926112 "source-unit" "angstrom" } "c" { "source-value" 9.10164276541 "source-unit" "angstrom" } "alpha" { "source-value" 110.504217241 "source-unit" "degree" } "beta" { "source-value" 99.1068374817 "source-unit" "degree" } "gamma" { "source-value" 103.531654955 "source-unit" "degree" } }