{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0 0 ] [ 0.442994 0.25 0.186193 ] [ 0.557006 0.75 0.813807 ] [ 0.480731 0.75 0.317002 ] [ 0.519269 0.25 0.682998 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0.768546 0.511863 0.673766 ] [ 0.26066 0.064417 0.72326 ] [ 0.336395 0.75 0.054731 ] [ 0.104756 0.75 0.563279 ] [ 0.768546 0.988137 0.673766 ] [ 0.895244 0.25 0.436721 ] [ 0.26066 0.435583 0.72326 ] [ 0.73934 0.935583 0.27674 ] [ 0.231454 0.011863 0.326234 ] [ 0.231454 0.488137 0.326234 ] [ 0.73934 0.564417 0.27674 ] [ 0.663605 0.25 0.945269 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Te" "Te" "Te" "Te" "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" 5.52890905402 "source-unit" "angstrom" } "b" { "source-value" 7.52912558 "source-unit" "angstrom" } "c" { "source-value" 7.05462619132 "source-unit" "angstrom" } "beta" { "source-value" 101.08991251 "source-unit" "degree" } }