{ "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" [ [ 0.01072 0.5 0.502535 ] [ 0.748884 0.5 0.883286 ] [ 0.477684 0 0.509156 ] [ 0.50673 0.5 0.99229 ] [ 0.279113 0.5 0.614962 ] [ 0.242524 0.5 0.111098 ] [ 0.996596 0 0.998123 ] [ 0.005448 0 0.708453 ] [ 0.737246 0.5 0.390422 ] [ 0.493011 0 0.208099 ] [ 0.500257 0 0.786461 ] [ 0.009486 0 0.285867 ] [ 0.778266 0.5 0.140946 ] [ 0.718724 0.5 0.640501 ] [ 0.286546 0.5 0.363628 ] [ 0.217276 0.5 0.858495 ] [ 0.923855 0 0.860627 ] [ 0.883418 0 0.415352 ] [ 0.874047 0.5 0.656371 ] [ 0.855869 0.5 0.239001 ] [ 0.854776 0.5 0.042588 ] [ 0.656909 0.5 0.540031 ] [ 0.637938 0.5 0.735803 ] [ 0.627302 0.5 0.144372 ] [ 0.605015 0 0.912259 ] [ 0.610983 0 0.338249 ] [ 0.402499 0 0.663485 ] [ 0.393883 0 0.087351 ] [ 0.367065 0.5 0.857161 ] [ 0.369297 0.5 0.264395 ] [ 0.345455 0.5 0.460949 ] [ 0.139943 0.5 0.957783 ] [ 0.135921 0.5 0.762461 ] [ 0.130966 0.5 0.344727 ] [ 0.099584 0 0.58798 ] [ 0.076768 0 0.134734 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "B" "B" "B" "B" "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" 9.11917695 "source-unit" "angstrom" } "b" { "source-value" 3.11792945 "source-unit" "angstrom" } "c" { "source-value" 12.27952961 "source-unit" "angstrom" } "beta" { "source-value" 90.02888487 "source-unit" "degree" } }