{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.245877 0.486876 0.227137 ] [ 0.245877 0.013124 0.227137 ] [ 0.754123 0.513124 0.772863 ] [ 0.754123 0.986876 0.772863 ] [ 0.777223 0.75 0.36347 ] [ 0.222777 0.25 0.63653 ] [ 0.712838 0.25 0.430741 ] [ 0.287162 0.75 0.569259 ] [ 0.729501 0.75 0.092405 ] [ 0.270499 0.25 0.907595 ] [ 0.29986 0.25 0.033956 ] [ 0.934743 0.75 0.154336 ] [ 0.554042 0.75 0.176698 ] [ 0.764647 0.067319 0.349431 ] [ 0.764647 0.432681 0.349431 ] [ 0.136491 0.75 0.434993 ] [ 0.450957 0.25 0.467272 ] [ 0.549043 0.75 0.532728 ] [ 0.863509 0.25 0.565007 ] [ 0.235353 0.567319 0.650569 ] [ 0.235353 0.932681 0.650569 ] [ 0.445958 0.25 0.823302 ] [ 0.065257 0.25 0.845664 ] [ 0.70014 0.75 0.966044 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Lu" "Lu" "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" 5.78686946 "source-unit" "angstrom" } "b" { "source-value" 7.04147731 "source-unit" "angstrom" } "c" { "source-value" 9.88935432 "source-unit" "angstrom" } "beta" { "source-value" 91.61272055 "source-unit" "degree" } }