{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.986996 0.444643 0.251269 ] [ 0.513004 0.944643 0.248731 ] [ 0.013004 0.555357 0.748731 ] [ 0.486996 0.055357 0.751269 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.785938 0.14444 0.022268 ] [ 0.285938 0.35556 0.522268 ] [ 0.214062 0.85556 0.977732 ] [ 0.714062 0.64444 0.477732 ] [ 0.353776 0.707987 0.530143 ] [ 0.146224 0.207987 0.969857 ] [ 0.948258 0.99286 0.819528 ] [ 0.551742 0.49286 0.680472 ] [ 0.051742 0.00714 0.180472 ] [ 0.448258 0.50714 0.319528 ] [ 0.853776 0.792013 0.030143 ] [ 0.646224 0.292013 0.469857 ] [ 0.080779 0.014271 0.292127 ] [ 0.419221 0.514271 0.207873 ] [ 0.263503 0.836151 0.548307 ] [ 0.763503 0.663849 0.048307 ] [ 0.736497 0.163849 0.451693 ] [ 0.236497 0.336151 0.951693 ] [ 0.344319 0.764409 0.963219 ] [ 0.155681 0.264409 0.536781 ] [ 0.655681 0.235591 0.036781 ] [ 0.844319 0.735591 0.463219 ] [ 0.919221 0.985729 0.707873 ] [ 0.580779 0.485729 0.792127 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Li" "Li" "Fe" "Fe" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.27682589093 "source-unit" "angstrom" } "b" { "source-value" 7.47994801 "source-unit" "angstrom" } "c" { "source-value" 10.3682174869 "source-unit" "angstrom" } "beta" { "source-value" 90.22000396 "source-unit" "degree" } }