{ "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" [ [ 0.334899 0.168303 0.788023 ] [ 0.829973 0.66478 0.787225 ] [ 0.159837 0.825023 0.299904 ] [ 0.827799 0.170785 0.791064 ] [ 0.170852 0.340498 0.289527 ] [ 0.661185 0.839751 0.279576 ] [ 0.667891 0.326023 0.510044 ] [ 0.334074 0.662615 0.011244 ] [ 0.34033 0.162339 0.396987 ] [ 0.520812 0.475804 0.658415 ] [ 0.658328 0.34205 0.895575 ] [ 0.001432 0.996888 0.695855 ] [ 0.992126 0.99497 0.19885 ] [ 0.830329 0.656011 0.397149 ] [ 0.516669 0.043523 0.660644 ] [ 0.954149 0.480801 0.659702 ] [ 0.174055 0.826069 0.893679 ] [ 0.832667 0.165204 0.398908 ] [ 0.048213 0.532783 0.160868 ] [ 0.481401 0.956837 0.160959 ] [ 0.344128 0.679474 0.393086 ] [ 0.174156 0.337717 0.898359 ] [ 0.48455 0.527421 0.161344 ] [ 0.659945 0.824129 0.897294 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Cr" "Cr" "Cr" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.95356652 "source-unit" "angstrom" } "b" { "source-value" 5.97216417 "source-unit" "angstrom" } "c" { "source-value" 9.33923426 "source-unit" "angstrom" } "alpha" { "source-value" 90.15628835 "source-unit" "degree" } "beta" { "source-value" 89.954214 "source-unit" "degree" } "gamma" { "source-value" 119.75708177 "source-unit" "degree" } }