{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.40115 0.341141 0.214825 ] [ 0.09885 0.841141 0.285175 ] [ 0.59885 0.658859 0.785175 ] [ 0.90115 0.158859 0.714825 ] [ 0.889114 0.338012 0.195792 ] [ 0.610886 0.838012 0.304208 ] [ 0.110886 0.661988 0.804208 ] [ 0.389114 0.161988 0.695792 ] [ 0.695907 0.396475 0.029039 ] [ 0.804093 0.896475 0.470961 ] [ 0.304093 0.603525 0.970961 ] [ 0.195907 0.103525 0.529039 ] [ 0.00214 0.17063 0.118946 ] [ 0.49786 0.67063 0.381054 ] [ 0.99786 0.82937 0.881054 ] [ 0.50214 0.32937 0.618946 ] [ 0.2916 0.212946 0.871196 ] [ 0.2084 0.712946 0.628804 ] [ 0.7084 0.787054 0.128804 ] [ 0.7916 0.287054 0.371196 ] [ 0.558545 0.006551 0.750494 ] [ 0.941455 0.506551 0.749506 ] [ 0.441455 0.993449 0.249506 ] [ 0.058545 0.493449 0.250494 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "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" 6.54211954624 "source-unit" "angstrom" } "b" { "source-value" 7.14851753 "source-unit" "angstrom" } "c" { "source-value" 6.94181411459 "source-unit" "angstrom" } "beta" { "source-value" 103.737047425 "source-unit" "degree" } }