{ "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" [ [ 0.758504 0.315554 0.744438 ] [ 0.241496 0.815554 0.755562 ] [ 0.241496 0.684446 0.255562 ] [ 0.758504 0.184446 0.244438 ] [ 0.766922 0.691401 0.371548 ] [ 0.233078 0.191401 0.128452 ] [ 0.233078 0.308599 0.628452 ] [ 0.766922 0.808599 0.871548 ] [ 0.315168 0.501715 0.960806 ] [ 0.684832 0.001715 0.539194 ] [ 0.684832 0.498285 0.039194 ] [ 0.315168 0.998285 0.460806 ] [ 0.9232 0.491684 0.071036 ] [ 0.0768 0.991684 0.428964 ] [ 0.0768 0.508316 0.928964 ] [ 0.9232 0.008316 0.571036 ] [ 0.496998 0.32664 0.959995 ] [ 0.503002 0.82664 0.540005 ] [ 0.503002 0.67336 0.040005 ] [ 0.496998 0.17336 0.459995 ] [ 0.499849 0.910116 0.090024 ] [ 0.500151 0.410116 0.409976 ] [ 0.500151 0.089884 0.909976 ] [ 0.499849 0.589884 0.590024 ] [ 0.496918 0.961162 0.326106 ] [ 0.503082 0.461162 0.173894 ] [ 0.503082 0.038838 0.673894 ] [ 0.496918 0.538838 0.826106 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.14948177002 "source-unit" "angstrom" } "b" { "source-value" 7.14988599 "source-unit" "angstrom" } "c" { "source-value" 7.17729629667 "source-unit" "angstrom" } "beta" { "source-value" 102.581176521 "source-unit" "degree" } }