{ "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" [ [ 0.661609 0.5 0.317938 ] [ 0.838391 0 0.682062 ] [ 0.161609 0 0.317938 ] [ 0.338391 0.5 0.682062 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.837668 0 0.155602 ] [ 0.662332 0.5 0.844398 ] [ 0.337668 0.5 0.155602 ] [ 0.162332 0 0.844398 ] [ 0.843874 0.5 0.402104 ] [ 0.001331 0 0.715191 ] [ 0.677711 0 0.078564 ] [ 0.998669 0 0.284809 ] [ 0.656126 0 0.597896 ] [ 0.822289 0.5 0.921436 ] [ 0.343874 0 0.402104 ] [ 0.501331 0.5 0.715191 ] [ 0.177711 0.5 0.078564 ] [ 0.498669 0.5 0.284809 ] [ 0.156126 0.5 0.597896 ] [ 0.322289 0 0.921436 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "V" "V" "V" "V" "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" 13.12158467 "source-unit" "angstrom" } "b" { "source-value" 2.9895138 "source-unit" "angstrom" } "c" { "source-value" 6.04988306 "source-unit" "angstrom" } "beta" { "source-value" 103.72641108 "source-unit" "degree" } }