{ "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 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.022338 0.75 0.277349 ] [ 0.977662 0.25 0.722651 ] [ 0.518399 0.25 0.223766 ] [ 0.481601 0.75 0.776234 ] [ 0.58563 0.75 0.089721 ] [ 0.086417 0.25 0.407609 ] [ 0.913583 0.75 0.592391 ] [ 0.41437 0.25 0.910279 ] [ 0.290059 0.25 0.04666 ] [ 0.263803 0.75 0.093462 ] [ 0.717632 0.950761 0.16004 ] [ 0.717632 0.549239 0.16004 ] [ 0.219499 0.450752 0.337448 ] [ 0.219499 0.049248 0.337448 ] [ 0.764631 0.25 0.405152 ] [ 0.790609 0.75 0.455821 ] [ 0.209391 0.25 0.544179 ] [ 0.235369 0.75 0.594848 ] [ 0.780501 0.950752 0.662552 ] [ 0.780501 0.549248 0.662552 ] [ 0.282368 0.450761 0.83996 ] [ 0.282368 0.049239 0.83996 ] [ 0.736197 0.25 0.906538 ] [ 0.709941 0.75 0.95334 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "V" "V" "P" "P" "P" "P" "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" 4.78763222 "source-unit" "angstrom" } "b" { "source-value" 6.16243942 "source-unit" "angstrom" } "c" { "source-value" 10.53086655 "source-unit" "angstrom" } "beta" { "source-value" 90.03153377 "source-unit" "degree" } }