{ "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" [ [ 0.772578 0.481672 0.217271 ] [ 0.772578 0.018328 0.217271 ] [ 0.227422 0.981672 0.782729 ] [ 0.227422 0.518328 0.782729 ] [ 0.219018 0.25 0.341575 ] [ 0.780982 0.75 0.658425 ] [ 0.267107 0.25 0.055269 ] [ 0.732893 0.75 0.944731 ] [ 0.267796 0.75 0.424869 ] [ 0.732204 0.25 0.575131 ] [ 0.71007 0.75 0.100497 ] [ 0.028043 0.25 0.122571 ] [ 0.473563 0.25 0.169492 ] [ 0.181285 0.941737 0.327311 ] [ 0.181285 0.558263 0.327311 ] [ 0.853676 0.25 0.411821 ] [ 0.571474 0.75 0.460425 ] [ 0.428526 0.25 0.539575 ] [ 0.146324 0.75 0.588179 ] [ 0.818715 0.441737 0.672689 ] [ 0.818715 0.058263 0.672689 ] [ 0.526437 0.75 0.830508 ] [ 0.971957 0.75 0.877429 ] [ 0.28993 0.25 0.899503 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "B" "B" "P" "P" "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" 5.12861288 "source-unit" "angstrom" } "b" { "source-value" 6.42832125 "source-unit" "angstrom" } "c" { "source-value" 8.52342077 "source-unit" "angstrom" } "beta" { "source-value" 93.66698128 "source-unit" "degree" } }