{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.011222 0.986252 0.998587 ] [ 0.979722 0.964767 0.203562 ] [ 0.038227 0.016297 0.389595 ] [ 0.990763 0.990235 0.599338 ] [ 0.03887 0.017135 0.807858 ] [ 0.518737 0.500838 0.093944 ] [ 0.490322 0.483156 0.504465 ] [ 0.474347 0.523852 0.29784 ] [ 0.494743 0.486692 0.696825 ] [ 0.461053 0.516483 0.907186 ] [ 0.201208 0.802727 0.305399 ] [ 0.192127 0.815377 0.898236 ] [ 0.297572 0.300031 0.002085 ] [ 0.317705 0.320775 0.403387 ] [ 0.29545 0.289649 0.601062 ] [ 0.31748 0.323028 0.797385 ] [ 0.698197 0.699253 0.997388 ] [ 0.67201 0.669921 0.198957 ] [ 0.697641 0.69155 0.600486 ] [ 0.197151 0.78876 0.096769 ] [ 0.195357 0.808429 0.500701 ] [ 0.194326 0.808419 0.700476 ] [ 0.287056 0.288958 0.198645 ] [ 0.708703 0.712533 0.405282 ] [ 0.708218 0.714422 0.794349 ] [ 0.802101 0.187663 0.096455 ] [ 0.810899 0.190016 0.499915 ] [ 0.790955 0.211697 0.306175 ] [ 0.806524 0.201394 0.896472 ] [ 0.811314 0.189691 0.701174 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.76415493 "source-unit" "angstrom" } "b" { "source-value" 4.76554699 "source-unit" "angstrom" } "c" { "source-value" 15.48688546 "source-unit" "angstrom" } "alpha" { "source-value" 90.15143692 "source-unit" "degree" } "beta" { "source-value" 90.26892803 "source-unit" "degree" } "gamma" { "source-value" 93.26002509 "source-unit" "degree" } }