{ "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" [ [ 0.885648 0 0.748698 ] [ 0.613769 0.165535 0.257798 ] [ 0.613769 0.834465 0.257798 ] [ 0.386231 0.165535 0.742202 ] [ 0.386231 0.834465 0.742202 ] [ 0.114352 0 0.251302 ] [ 0.385648 0.5 0.748698 ] [ 0.113769 0.665535 0.257798 ] [ 0.113769 0.334465 0.257798 ] [ 0.886231 0.665535 0.742202 ] [ 0.886231 0.334465 0.742202 ] [ 0.614352 0.5 0.251302 ] [ 0 0.166584 0.5 ] [ 0.5 0 0.5 ] [ 0 0.833416 0.5 ] [ 0.5 0.833294 0 ] [ 0.5 0.166706 0 ] [ 0.5 0.666584 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.333416 0.5 ] [ 0 0.333294 0 ] [ 0 0.666706 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.80147 0 0.389512 ] [ 0.133022 0.168563 0.888142 ] [ 0.133022 0.831437 0.888142 ] [ 0.698244 0.166768 0.610667 ] [ 0.698244 0.833232 0.610667 ] [ 0.62254 0 0.886147 ] [ 0.37746 0 0.113853 ] [ 0.301756 0.166768 0.389333 ] [ 0.301756 0.833232 0.389333 ] [ 0.866978 0.168563 0.111858 ] [ 0.866978 0.831437 0.111858 ] [ 0.19853 0 0.610488 ] [ 0.30147 0.5 0.389512 ] [ 0.633022 0.668563 0.888142 ] [ 0.633022 0.331437 0.888142 ] [ 0.198244 0.666768 0.610667 ] [ 0.198244 0.333232 0.610667 ] [ 0.12254 0.5 0.886147 ] [ 0.87746 0.5 0.113853 ] [ 0.801756 0.666768 0.389333 ] [ 0.801756 0.333232 0.389333 ] [ 0.366978 0.668563 0.111858 ] [ 0.366978 0.331437 0.111858 ] [ 0.69853 0.5 0.610488 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cu" "Cu" "O" "O" "O" "O" "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" 5.08990905 "source-unit" "angstrom" } "b" { "source-value" 8.82701569 "source-unit" "angstrom" } "c" { "source-value" 9.9994918 "source-unit" "angstrom" } "beta" { "source-value" 98.60052581 "source-unit" "degree" } }