{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.283621 0.5 0.157106 ] [ 0.173845 0 0.320779 ] [ 0.826155 0 0.679221 ] [ 0.980408 0.5 0.617433 ] [ 0.019592 0.5 0.382567 ] [ 0 0 0 ] [ 0.716379 0.5 0.842894 ] [ 0.783621 0 0.157106 ] [ 0.673845 0.5 0.320779 ] [ 0.326155 0.5 0.679221 ] [ 0.480408 0 0.617433 ] [ 0.519592 0 0.382567 ] [ 0.5 0.5 0 ] [ 0.216379 0 0.842894 ] [ 0.001134 0.5 0.858771 ] [ 0.362636 0.5 0.428789 ] [ 0.637364 0.5 0.571211 ] [ 0.998866 0.5 0.141229 ] [ 0.501133 0 0.858771 ] [ 0.862636 0 0.428789 ] [ 0.137364 0 0.571211 ] [ 0.498866 0 0.141229 ] [ 0.824774 0.5 0.70934 ] [ 0.25775 0 0.179773 ] [ 0.995446 0 0.387472 ] [ 0.159412 0.5 0.855445 ] [ 0.840588 0.5 0.144555 ] [ 0 0.5 0 ] [ 0.74225 0 0.820227 ] [ 0.175226 0.5 0.29066 ] [ 0.004554 0 0.612528 ] [ 0.324774 0 0.70934 ] [ 0.75775 0.5 0.179773 ] [ 0.495446 0.5 0.387472 ] [ 0.659412 0 0.855445 ] [ 0.340588 0 0.144555 ] [ 0.5 0 0 ] [ 0.24225 0.5 0.820227 ] [ 0.675226 0 0.29066 ] [ 0.504554 0.5 0.612528 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.0321642897 "source-unit" "angstrom" } "b" { "source-value" 5.42909002489 "source-unit" "angstrom" } "c" { "source-value" 13.6384159905 "source-unit" "angstrom" } "beta" { "source-value" 124.683424103 "source-unit" "degree" } }