{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.163673 0 0.335483 ] [ 0.336327 0.5 0.664517 ] [ 0.5 0 0 ] [ 0.663673 0.5 0.335483 ] [ 0.836327 0 0.664517 ] [ 0.165749 0 0.826966 ] [ 0.334251 0.5 0.173034 ] [ 0.665749 0.5 0.826966 ] [ 0.834251 0 0.173034 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.170646 0.5 0.60562 ] [ 0.324859 0 0.92998 ] [ 0.329354 0 0.39438 ] [ 0.988235 0 0.248431 ] [ 0.011765 0 0.751569 ] [ 0.175141 0.5 0.07002 ] [ 0.670646 0 0.60562 ] [ 0.824859 0.5 0.92998 ] [ 0.829354 0.5 0.39438 ] [ 0.488235 0.5 0.248431 ] [ 0.511765 0.5 0.751569 ] [ 0.675141 0 0.07002 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Co" "Co" "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" 12.80757653 "source-unit" "angstrom" } "b" { "source-value" 2.99447328 "source-unit" "angstrom" } "c" { "source-value" 5.99183678 "source-unit" "angstrom" } "beta" { "source-value" 103.86295169 "source-unit" "degree" } }