{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.939826 0 0.654054 ] [ 0.060214 0 0.362842 ] [ 0.439826 0.5 0.654054 ] [ 0.560214 0.5 0.362842 ] [ 0.10786 0.5 0.702351 ] [ 0.888705 0.5 0.277826 ] [ 0.20885 0.5 0.288129 ] [ 0.60786 0 0.702351 ] [ 0.388705 0 0.277826 ] [ 0.70885 0 0.288129 ] [ 0.789451 0.5 0.698583 ] [ 0.289451 0 0.698583 ] [ 0.878919 0 0.329114 ] [ 0.758567 0 0.636823 ] [ 0.155327 0.5 0.0114 ] [ 0.0598 0.5 0.359713 ] [ 0.952042 0.5 0.647241 ] [ 0.855193 0.5 0.009774 ] [ 0.233677 0 0.338289 ] [ 0.111568 0 0.68386 ] [ 0.378919 0.5 0.329114 ] [ 0.258567 0.5 0.636823 ] [ 0.655327 0 0.0114 ] [ 0.5598 0 0.359713 ] [ 0.452042 0 0.647241 ] [ 0.355193 0 0.009774 ] [ 0.733677 0.5 0.338289 ] [ 0.611568 0.5 0.68386 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "Co" "Co" "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" 12.1544574 "source-unit" "angstrom" } "b" { "source-value" 4.00236488 "source-unit" "angstrom" } "c" { "source-value" 6.52775981 "source-unit" "angstrom" } "beta" { "source-value" 106.78836252 "source-unit" "degree" } }