{ "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 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0.5 0 0 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0 ] [ 0.979701 0.237371 0.213831 ] [ 0.979701 0.762629 0.213831 ] [ 0.746769 0 0.204605 ] [ 0.739584 0.5 0.202922 ] [ 0.760416 0 0.797078 ] [ 0.753231 0.5 0.795395 ] [ 0.520299 0.737371 0.786169 ] [ 0.520299 0.262629 0.786169 ] [ 0.479701 0.737371 0.213831 ] [ 0.479701 0.262629 0.213831 ] [ 0.246769 0.5 0.204605 ] [ 0.239584 0 0.202922 ] [ 0.260416 0.5 0.797078 ] [ 0.253231 0 0.795395 ] [ 0.020299 0.237371 0.786169 ] [ 0.020299 0.762629 0.786169 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 9.95369346 "source-unit" "angstrom" } "b" { "source-value" 5.73977951 "source-unit" "angstrom" } "c" { "source-value" 5.89360155 "source-unit" "angstrom" } "beta" { "source-value" 124.65211877 "source-unit" "degree" } }