{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbca" } "basis-atom-coordinates" { "source-value" [ [ 0.867633 0.486972 0.370828 ] [ 0.132367 0.986972 0.129172 ] [ 0.632367 0.986972 0.370828 ] [ 0.867633 0.013028 0.870828 ] [ 0.367633 0.486972 0.129172 ] [ 0.132367 0.513028 0.629172 ] [ 0.632367 0.513028 0.870828 ] [ 0.367633 0.013028 0.629172 ] [ 0.127728 0.861714 0.407259 ] [ 0.872272 0.138286 0.592741 ] [ 0.627728 0.638286 0.592741 ] [ 0.872272 0.361714 0.092741 ] [ 0.372272 0.361714 0.407259 ] [ 0.127728 0.638286 0.907259 ] [ 0.627728 0.861714 0.092741 ] [ 0.372272 0.138286 0.907259 ] [ 0.250494 0.973213 0.368223 ] [ 0.986309 0.206435 0.674234 ] [ 0.513691 0.706435 0.674234 ] [ 0.749506 0.026787 0.631777 ] [ 0.513691 0.793565 0.174234 ] [ 0.013691 0.706435 0.825766 ] [ 0.382356 0.177563 0.02724 ] [ 0.013691 0.793565 0.325766 ] [ 0.486309 0.206435 0.825766 ] [ 0.617644 0.822437 0.97276 ] [ 0.250494 0.526787 0.868223 ] [ 0.249506 0.473213 0.368223 ] [ 0.750494 0.973213 0.131777 ] [ 0.486309 0.293565 0.325766 ] [ 0.986309 0.293565 0.174234 ] [ 0.750494 0.526787 0.631777 ] [ 0.382356 0.322437 0.52724 ] [ 0.249506 0.026787 0.868223 ] [ 0.882356 0.177563 0.47276 ] [ 0.117644 0.822437 0.52724 ] [ 0.749506 0.473213 0.131777 ] [ 0.617644 0.677563 0.47276 ] [ 0.882356 0.322437 0.97276 ] [ 0.117644 0.677563 0.02724 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "N" "N" "N" "N" "N" "N" "N" "N" "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" 7.08627881 "source-unit" "angstrom" } "b" { "source-value" 7.44728288 "source-unit" "angstrom" } "c" { "source-value" 10.2995804 "source-unit" "angstrom" } }