{ "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" [ [ 0.837085 0.662044 0.213798 ] [ 0.336071 0.168297 0.210886 ] [ 0.172548 0.848453 0.710085 ] [ 0.83168 0.166992 0.205055 ] [ 0.663735 0.833558 0.707402 ] [ 0.167628 0.345059 0.712335 ] [ 0.670528 0.337833 0.489839 ] [ 0.334543 0.65761 0.986899 ] [ 0.8371 0.662813 0.604259 ] [ 0.521358 0.48034 0.338871 ] [ 0.665272 0.329875 0.106316 ] [ 0.000598 0.003521 0.300149 ] [ 0.000415 0.007823 0.80253 ] [ 0.34063 0.170776 0.604862 ] [ 0.955187 0.493334 0.342917 ] [ 0.511356 0.049415 0.344103 ] [ 0.172954 0.821454 0.105897 ] [ 0.844219 0.184963 0.599019 ] [ 0.464783 0.948609 0.842674 ] [ 0.0406 0.517823 0.835469 ] [ 0.330466 0.660274 0.609716 ] [ 0.659164 0.812932 0.09974 ] [ 0.458356 0.495309 0.840919 ] [ 0.183924 0.341093 0.10198 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Mn" "Mn" "Mn" "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" 5.95421103 "source-unit" "angstrom" } "b" { "source-value" 5.98725479 "source-unit" "angstrom" } "c" { "source-value" 9.35798686 "source-unit" "angstrom" } "alpha" { "source-value" 90.29127223 "source-unit" "degree" } "beta" { "source-value" 90.92041029 "source-unit" "degree" } "gamma" { "source-value" 119.26123883 "source-unit" "degree" } }