{ "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" [ [ 0.886791 0.992701 0.887586 ] [ 0.606482 0.505862 0.368077 ] [ 0.40684 0.017056 0.618432 ] [ 0.168831 0.40563 0.116586 ] [ 0.004666 0.652819 0.942216 ] [ 0.949154 0.512801 0.320829 ] [ 0.561706 0.0717 0.818731 ] [ 0.49595 0.212277 0.418904 ] [ 0.512652 0.693358 0.565959 ] [ 0.414632 0.634122 0.183806 ] [ 0.074311 0.077738 0.687549 ] [ 0.917985 0.175536 0.071326 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Te" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.49924992 "source-unit" "angstrom" } "b" { "source-value" 5.50075163 "source-unit" "angstrom" } "c" { "source-value" 7.34273249 "source-unit" "angstrom" } "alpha" { "source-value" 85.62590169 "source-unit" "degree" } "beta" { "source-value" 85.97377575 "source-unit" "degree" } "gamma" { "source-value" 77.88372417 "source-unit" "degree" } }