{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.232279 0.25 0.291673 ] [ 0.392505 0.75 0.856218 ] [ 0.048764 0.75 0.651472 ] [ 0.607495 0.25 0.143782 ] [ 0.951236 0.25 0.348528 ] [ 0.767721 0.75 0.708327 ] [ 0.870065 0.25 0.93672 ] [ 0.661164 0.75 0.44594 ] [ 0.338836 0.25 0.55406 ] [ 0.129935 0.75 0.06328 ] [ 0.679552 0.25 0.804357 ] [ 0.04106 0.75 0.89667 ] [ 0.467259 0.25 0.397569 ] [ 0.320448 0.75 0.195643 ] [ 0.95894 0.25 0.10333 ] [ 0.163439 0.75 0.498524 ] [ 0.211112 0.25 0.710316 ] [ 0.836561 0.25 0.501476 ] [ 0.788888 0.75 0.289684 ] [ 0.532741 0.75 0.602431 ] [ 0.672762 0.75 0.997834 ] [ 0.327238 0.25 0.002166 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.39284829792 "source-unit" "angstrom" } "b" { "source-value" 4.17703326 "source-unit" "angstrom" } "c" { "source-value" 15.6561035946 "source-unit" "angstrom" } "beta" { "source-value" 92.8830474446 "source-unit" "degree" } }