{ "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" [ [ 0.505093 0.767747 0.407878 ] [ 0.507019 0.592101 0.792492 ] [ 0 0.5 0.5 ] [ 0.492981 0.407899 0.207508 ] [ 0.494907 0.232253 0.592122 ] [ 0.5 0 0 ] [ 0.002973 0.307977 0.894112 ] [ 0.997027 0.692023 0.105888 ] [ 0.009631 0.896706 0.69787 ] [ 0.990369 0.103294 0.30213 ] [ 0.245575 0.940495 0.85869 ] [ 0.744929 0.678289 0.938671 ] [ 0.770326 0.856863 0.540264 ] [ 0.261052 0.782245 0.232398 ] [ 0.237515 0.554288 0.661973 ] [ 0.762485 0.445712 0.338027 ] [ 0.738948 0.217755 0.767602 ] [ 0.229674 0.143138 0.459736 ] [ 0.255071 0.321711 0.061329 ] [ 0.754425 0.059505 0.14131 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Sn" "Sn" "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" 5.23068674 "source-unit" "angstrom" } "b" { "source-value" 5.3551255 "source-unit" "angstrom" } "c" { "source-value" 8.06399759 "source-unit" "angstrom" } "alpha" { "source-value" 72.30904743 "source-unit" "degree" } "beta" { "source-value" 71.93840373 "source-unit" "degree" } "gamma" { "source-value" 80.31617443 "source-unit" "degree" } }