{ "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 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0.030471 0.75 0.038068 ] [ 0.865188 0.25 0.242907 ] [ 0.969529 0.25 0.961932 ] [ 0.134812 0.75 0.757093 ] [ 0.666232 0.430757 0.313979 ] [ 0.333768 0.569243 0.686021 ] [ 0.666232 0.069243 0.313979 ] [ 0.327459 0.25 0.930983 ] [ 0.176466 0.930234 0.187741 ] [ 0.823534 0.430234 0.812259 ] [ 0.823534 0.069766 0.812259 ] [ 0.176466 0.569766 0.187741 ] [ 0.333768 0.930757 0.686021 ] [ 0.130192 0.25 0.459118 ] [ 0.869808 0.75 0.540882 ] [ 0.672541 0.75 0.069017 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ga" "Ga" "Ga" "Ga" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.69674826957 "source-unit" "angstrom" } "b" { "source-value" 10.62069205 "source-unit" "angstrom" } "c" { "source-value" 8.15640001067 "source-unit" "angstrom" } "beta" { "source-value" 93.662622986 "source-unit" "degree" } }