{ "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" [ [ 0.471036 0.918246 0.731873 ] [ 0.469765 0.249033 0.730149 ] [ 0.425898 0.57736 0.707079 ] [ 0.039699 0.081056 0.774953 ] [ 0.04332 0.42071 0.75946 ] [ 0.029648 0.751433 0.760971 ] [ 0.970352 0.248567 0.239029 ] [ 0.960301 0.918944 0.225047 ] [ 0.95668 0.57929 0.24054 ] [ 0.528964 0.081754 0.268127 ] [ 0.574102 0.42264 0.292921 ] [ 0.530235 0.750967 0.269851 ] [ 0.425898 0.92264 0.207079 ] [ 0.469765 0.250967 0.230149 ] [ 0.471036 0.581754 0.231873 ] [ 0.04332 0.07929 0.25946 ] [ 0.039699 0.418944 0.274953 ] [ 0.029648 0.748567 0.260971 ] [ 0.970352 0.251433 0.739029 ] [ 0.95668 0.92071 0.74054 ] [ 0.960301 0.581056 0.725047 ] [ 0.574102 0.07736 0.792921 ] [ 0.528964 0.418246 0.768127 ] [ 0.530235 0.749033 0.769851 ] [ 0.5 0 0 ] [ 0.506853 0.333726 0.003267 ] [ 0.493147 0.666274 0.996733 ] [ 0.49641 0.833554 0.000049 ] [ 0.50359 0.166446 0.999951 ] [ 0.5 0.5 0 ] [ 0.005738 0.164234 0.502656 ] [ 0 0 0.5 ] [ 0.994262 0.835766 0.497344 ] [ 0.006837 0.331392 0.502878 ] [ 0.993163 0.668608 0.497122 ] [ 0.49641 0.666446 0.500049 ] [ 0.5 0 0.5 ] [ 0.50359 0.333554 0.499951 ] [ 0.5 0.5 0.5 ] [ 0.493147 0.833726 0.496733 ] [ 0.506853 0.166274 0.503267 ] [ 0.005738 0.335766 0.002656 ] [ 0.994262 0.664234 0.997344 ] [ 0.993163 0.831392 0.997122 ] [ 0.006837 0.168608 0.002878 ] [ 0 0.5 0 ] [ 0.522168 0.917596 0.971512 ] [ 0.519699 0.25053 0.971131 ] [ 0.504958 0.582904 0.962821 ] [ 0.297718 0.151609 0.758809 ] [ 0.302679 0.013061 0.757172 ] [ 0.289113 0.345443 0.754503 ] [ 0.308707 0.486527 0.769212 ] [ 0.272941 0.682082 0.74787 ] [ 0.285389 0.81887 0.755281 ] [ 0.219539 0.180432 0.471368 ] [ 0.224077 0.51325 0.455676 ] [ 0.207477 0.84803 0.464791 ] [ 0.206336 0.987518 0.455526 ] [ 0.209216 0.653729 0.462977 ] [ 0.223431 0.31716 0.470684 ] [ 0.021253 0.25003 0.550168 ] [ 0.025424 0.918454 0.554773 ] [ 0.000033 0.590935 0.534193 ] [ 0.974576 0.081546 0.445227 ] [ 0.999967 0.409065 0.465807 ] [ 0.978747 0.74997 0.449832 ] [ 0.792523 0.15197 0.535209 ] [ 0.793664 0.012482 0.544474 ] [ 0.776569 0.68284 0.529316 ] [ 0.790784 0.346271 0.537023 ] [ 0.775923 0.48675 0.544324 ] [ 0.780461 0.819568 0.528632 ] [ 0.714611 0.18113 0.244719 ] [ 0.702282 0.848391 0.241191 ] [ 0.697321 0.986939 0.242828 ] [ 0.727059 0.317918 0.25213 ] [ 0.691293 0.513473 0.230788 ] [ 0.710887 0.654557 0.245497 ] [ 0.522168 0.582404 0.471512 ] [ 0.504958 0.917096 0.462821 ] [ 0.519699 0.24947 0.471131 ] [ 0.477832 0.082404 0.028488 ] [ 0.495042 0.417096 0.037179 ] [ 0.480301 0.74947 0.028869 ] [ 0.289113 0.154557 0.254503 ] [ 0.308707 0.013473 0.269212 ] [ 0.297718 0.348391 0.258809 ] [ 0.302679 0.486939 0.257172 ] [ 0.285389 0.68113 0.255281 ] [ 0.272941 0.817918 0.24787 ] [ 0.209216 0.846271 0.962977 ] [ 0.224077 0.98675 0.955676 ] [ 0.223431 0.18284 0.970684 ] [ 0.206336 0.512482 0.955526 ] [ 0.207477 0.65197 0.964791 ] [ 0.219539 0.319568 0.971368 ] [ 0.021253 0.24997 0.050168 ] [ 0.025424 0.581546 0.054773 ] [ 0.000033 0.909065 0.034193 ] [ 0.974576 0.418454 0.945227 ] [ 0.999967 0.090935 0.965807 ] [ 0.978747 0.75003 0.949832 ] [ 0.780461 0.680432 0.028632 ] [ 0.790784 0.153729 0.037023 ] [ 0.775923 0.01325 0.044324 ] [ 0.792523 0.34803 0.035209 ] [ 0.793664 0.487518 0.044474 ] [ 0.776569 0.81716 0.029316 ] [ 0.714611 0.31887 0.744719 ] [ 0.727059 0.182082 0.75213 ] [ 0.710887 0.845443 0.745497 ] [ 0.691293 0.986527 0.730788 ] [ 0.697321 0.513061 0.742828 ] [ 0.702282 0.651609 0.741191 ] [ 0.477832 0.417596 0.528488 ] [ 0.495042 0.082904 0.537179 ] [ 0.480301 0.75053 0.528869 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.90016304 "source-unit" "angstrom" } "b" { "source-value" 23.59096318 "source-unit" "angstrom" } "c" { "source-value" 11.1533746 "source-unit" "angstrom" } "beta" { "source-value" 134.4275389 "source-unit" "degree" } }