{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.997379 0.061342 0.154956 ] [ 0.260687 0.541665 0.576492 ] [ 0.260687 0.458335 0.076492 ] [ 0.997379 0.938658 0.654956 ] [ 0.509726 0.058751 0.16333 ] [ 0.509726 0.941249 0.66333 ] [ 0.504662 0.565704 0.33904 ] [ 0.504662 0.434296 0.83904 ] [ 0.977084 0.422793 0.839764 ] [ 0.977084 0.577207 0.339764 ] [ 0.751084 0.426676 0.594222 ] [ 0.250464 0.048654 0.407244 ] [ 0.751084 0.573324 0.094222 ] [ 0.250464 0.951346 0.907244 ] [ 0.751133 0.476954 0.954102 ] [ 0.040787 0.040436 0.835888 ] [ 0.963695 0.462657 0.158434 ] [ 0.963695 0.537343 0.658434 ] [ 0.750747 0.87659 0.104752 ] [ 0.247985 0.635848 0.908172 ] [ 0.750747 0.12341 0.604752 ] [ 0.751133 0.523046 0.454102 ] [ 0.555439 0.453214 0.159665 ] [ 0.555439 0.546786 0.659665 ] [ 0.438688 0.946099 0.333811 ] [ 0.438688 0.053901 0.833811 ] [ 0.249932 0.055966 0.045717 ] [ 0.249932 0.944034 0.545717 ] [ 0.247985 0.364152 0.408172 ] [ 0.040787 0.959564 0.335888 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "P" "P" "P" "P" "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" 6.34530170023 "source-unit" "angstrom" } "b" { "source-value" 5.00248272 "source-unit" "angstrom" } "c" { "source-value" 10.569038075 "source-unit" "angstrom" } "beta" { "source-value" 91.2586858315 "source-unit" "degree" } }