{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.707105 0.5 0.990935 ] [ 0.659392 0.5 0.358309 ] [ 0.632594 0.5 0.651167 ] [ 0.207319 0.5 0.492219 ] [ 0.159683 0.5 0.857704 ] [ 0.133129 0.5 0.150615 ] [ 0.866295 0 0.506356 ] [ 0.826289 0 0.814218 ] [ 0.808636 0 0.179545 ] [ 0.365203 0 0.005676 ] [ 0.326075 0 0.314197 ] [ 0.312846 0 0.679227 ] [ 0.002137 0.5 0.667025 ] [ 0.99997 0 0.999899 ] [ 0.000072 0.5 0.333444 ] [ 0.499909 0.5 0.166638 ] [ 0.498493 0 0.500213 ] [ 0.498888 0.5 0.832302 ] [ 0.989714 0.5 0.430145 ] [ 0.985901 0.5 0.763785 ] [ 0.86327 0.5 0.611241 ] [ 0.859954 0.5 0.279838 ] [ 0.845226 0 0.960985 ] [ 0.65218 0.5 0.125169 ] [ 0.650021 0.5 0.790099 ] [ 0.635329 0 0.443531 ] [ 0.514638 0 0.597465 ] [ 0.487772 0.5 0.929097 ] [ 0.486129 0.5 0.263479 ] [ 0.361598 0.5 0.111165 ] [ 0.35954 0.5 0.777795 ] [ 0.344828 0 0.460675 ] [ 0.154975 0.5 0.62681 ] [ 0.150349 0.5 0.290245 ] [ 0.1356 0 0.942112 ] [ 0.018941 0 0.096673 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Fe" "B" "B" "B" "B" "B" "B" "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" 8.26784329 "source-unit" "angstrom" } "b" { "source-value" 3.18491251 "source-unit" "angstrom" } "c" { "source-value" 14.33766083 "source-unit" "angstrom" } "beta" { "source-value" 90.05306653 "source-unit" "degree" } }