{ "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" [ [ 0.250717 0.75 0.104291 ] [ 0.774687 0.966661 0.289268 ] [ 0.774687 0.533339 0.289268 ] [ 0.225313 0.466661 0.710732 ] [ 0.225313 0.033339 0.710732 ] [ 0.749283 0.25 0.895709 ] [ 0.211841 0.25 0.324186 ] [ 0.788159 0.75 0.675814 ] [ 0.295464 0.75 0.426908 ] [ 0.704536 0.25 0.573092 ] [ 0.279975 0.25 0.017538 ] [ 0.720025 0.75 0.982462 ] [ 0.652697 0.75 0.128116 ] [ 0.037882 0.25 0.057229 ] [ 0.464398 0.25 0.130435 ] [ 0.190424 0.946618 0.309895 ] [ 0.190424 0.553382 0.309895 ] [ 0.617868 0.75 0.45002 ] [ 0.827832 0.25 0.397571 ] [ 0.172168 0.75 0.602429 ] [ 0.382132 0.25 0.54998 ] [ 0.809576 0.446618 0.690105 ] [ 0.809576 0.053382 0.690105 ] [ 0.535602 0.75 0.869565 ] [ 0.962118 0.75 0.942771 ] [ 0.347303 0.25 0.871884 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Si" "Si" "C" "C" "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" 5.08553674 "source-unit" "angstrom" } "b" { "source-value" 6.30340339 "source-unit" "angstrom" } "c" { "source-value" 8.44584433 "source-unit" "angstrom" } "beta" { "source-value" 92.40323739 "source-unit" "degree" } }