{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.018987 0.506446 0.999699 ] [ 0.446223 0.187459 0.816347 ] [ 0.448032 0.43033 0.491289 ] [ 0.551968 0.93033 0.508711 ] [ 0.553777 0.687459 0.183653 ] [ 0.981013 0.006446 0.000301 ] [ 0.025654 0.75112 0.725309 ] [ 0.974346 0.25112 0.274691 ] [ 0.961641 0.24866 0.661139 ] [ 0.038359 0.74866 0.338861 ] [ 0.50807 0.738428 0.870302 ] [ 0.49193 0.238428 0.129698 ] [ 0.344526 0.723125 0.984875 ] [ 0.757 0.760696 0.90731 ] [ 0.081721 0.062228 0.764501 ] [ 0.015229 0.445002 0.769008 ] [ 0.432747 0.736591 0.723183 ] [ 0.665904 0.212395 0.629238 ] [ 0.113786 0.272122 0.507927 ] [ 0.886214 0.772122 0.492073 ] [ 0.334096 0.712395 0.370762 ] [ 0.567253 0.236591 0.276817 ] [ 0.984771 0.945002 0.230992 ] [ 0.918279 0.562228 0.235499 ] [ 0.243 0.260696 0.09269 ] [ 0.655474 0.223125 0.015125 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "P" "P" "C" "C" "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" 5.10766003 "source-unit" "angstrom" } "b" { "source-value" 6.27053474 "source-unit" "angstrom" } "c" { "source-value" 8.45702153 "source-unit" "angstrom" } "beta" { "source-value" 91.37356573 "source-unit" "degree" } }