{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.770313 0.461545 0.164534 ] [ 0.229687 0.961545 0.835466 ] [ 0.216595 0.250177 0.340959 ] [ 0.783405 0.750177 0.659041 ] [ 0.271674 0.256824 0.068381 ] [ 0.728326 0.756824 0.931619 ] [ 0.270599 0.753795 0.430002 ] [ 0.729401 0.253795 0.569998 ] [ 0.696002 0.722593 0.06719 ] [ 0.045334 0.26195 0.12851 ] [ 0.460992 0.282097 0.175133 ] [ 0.209808 0.93765 0.334491 ] [ 0.179253 0.570339 0.341857 ] [ 0.855066 0.265663 0.423741 ] [ 0.553562 0.739517 0.465181 ] [ 0.446438 0.239517 0.534819 ] [ 0.144934 0.765663 0.576259 ] [ 0.820747 0.070339 0.658143 ] [ 0.790192 0.43765 0.665509 ] [ 0.539008 0.782097 0.824867 ] [ 0.954666 0.76195 0.87149 ] [ 0.303998 0.222593 0.93281 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "C" "C" "S" "S" "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" 5.24079949 "source-unit" "angstrom" } "b" { "source-value" 6.4451087 "source-unit" "angstrom" } "c" { "source-value" 8.85202781 "source-unit" "angstrom" } "beta" { "source-value" 93.6489569 "source-unit" "degree" } }