{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0 0.674692 ] [ 0 0 0.325308 ] [ 0 0.5 0.842554 ] [ 0 0.5 0.5 ] [ 0 0.5 0.157446 ] [ 0.5 0.5 0.674692 ] [ 0.5 0.5 0.325308 ] [ 0.5 0 0.842554 ] [ 0.5 0 0.5 ] [ 0.5 0 0.157446 ] [ 0.194706 0 0.5 ] [ 0.205105 0 0.834366 ] [ 0.205105 0 0.165634 ] [ 0 0.711232 0 ] [ 0 0.697079 0.667411 ] [ 0 0.697079 0.332589 ] [ 0 0.302921 0.667411 ] [ 0 0.302921 0.332589 ] [ 0 0.288768 0 ] [ 0.794895 0 0.834366 ] [ 0.794895 0 0.165634 ] [ 0.805294 0 0.5 ] [ 0.694706 0.5 0.5 ] [ 0.705105 0.5 0.834366 ] [ 0.705105 0.5 0.165634 ] [ 0.5 0.211232 0 ] [ 0.5 0.197079 0.667411 ] [ 0.5 0.197079 0.332589 ] [ 0.5 0.802921 0.667411 ] [ 0.5 0.802921 0.332589 ] [ 0.5 0.788768 0 ] [ 0.294895 0.5 0.834366 ] [ 0.294895 0.5 0.165634 ] [ 0.305294 0.5 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.00371684 "source-unit" "angstrom" } "b" { "source-value" 7.04827614 "source-unit" "angstrom" } "c" { "source-value" 10.58080943 "source-unit" "angstrom" } }