{ "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" [ [ 0.486326 0.637296 0.366605 ] [ 0.513674 0.362704 0.633395 ] [ 0.082672 0.812276 0.997304 ] [ 0.183035 0.100407 0.154854 ] [ 0.917328 0.187724 0.002696 ] [ 0.816965 0.899593 0.845146 ] [ 0.340883 0.795515 0.538528 ] [ 0.659117 0.204485 0.461472 ] [ 0.393725 0.527004 0.823605 ] [ 0.540647 0.168415 0.820208 ] [ 0.851525 0.530231 0.721167 ] [ 0.148475 0.469769 0.278833 ] [ 0.18777 0.198744 0.568042 ] [ 0.606275 0.472996 0.176395 ] [ 0.81223 0.801256 0.431958 ] [ 0.459353 0.831585 0.179792 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Ta" "Ta" "Te" "Te" "Te" "Te" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.39679229417 "source-unit" "angstrom" } "b" { "source-value" 8.93789552134 "source-unit" "angstrom" } "c" { "source-value" 9.62715904405 "source-unit" "angstrom" } "alpha" { "source-value" 97.1396340867 "source-unit" "degree" } "beta" { "source-value" 91.7289487528 "source-unit" "degree" } "gamma" { "source-value" 105.011220228 "source-unit" "degree" } }