{ "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 ] [ 0.832152 0 0.664122 ] [ 0.667848 0.5 0.335878 ] [ 0.5 0 0 ] [ 0.332152 0.5 0.664122 ] [ 0.167848 0 0.335878 ] [ 0.837485 0 0.16837 ] [ 0.662515 0.5 0.83163 ] [ 0.337485 0.5 0.16837 ] [ 0.162515 0 0.83163 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.828553 0.5 0.39156 ] [ 0.674377 0 0.071017 ] [ 0.671447 0 0.60844 ] [ 0.012981 0 0.763196 ] [ 0.987019 0 0.236804 ] [ 0.825623 0.5 0.928983 ] [ 0.328553 0 0.39156 ] [ 0.174377 0.5 0.071017 ] [ 0.171447 0.5 0.60844 ] [ 0.512981 0.5 0.763196 ] [ 0.487019 0.5 0.236804 ] [ 0.325623 0 0.928983 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Mn" "Mn" "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" 13.18785231 "source-unit" "angstrom" } "b" { "source-value" 2.98494681 "source-unit" "angstrom" } "c" { "source-value" 6.07845446 "source-unit" "angstrom" } "beta" { "source-value" 103.03587519 "source-unit" "degree" } }