{ "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" [ [ 0.533654 0.25 0.217658 ] [ 0.466346 0.75 0.782342 ] [ 0.014453 0.75 0.316381 ] [ 0.985547 0.25 0.683619 ] [ 0.645327 0.75 0.050638 ] [ 0.673382 0.530523 0.788693 ] [ 0.326618 0.030523 0.211307 ] [ 0.800948 0.421431 0.358802 ] [ 0.404828 0.25 0.487911 ] [ 0.595172 0.75 0.512089 ] [ 0.354673 0.25 0.949362 ] [ 0.800948 0.078569 0.358802 ] [ 0.199052 0.578569 0.641198 ] [ 0.171006 0.75 0.950787 ] [ 0.199052 0.921431 0.641198 ] [ 0.326618 0.469477 0.211307 ] [ 0.828994 0.25 0.049213 ] [ 0.673382 0.969477 0.788693 ] ] } "species" { "source-value" [ "Ta" "Ta" "Pb" "Pb" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.99580843879 "source-unit" "angstrom" } "b" { "source-value" 7.43392947 "source-unit" "angstrom" } "c" { "source-value" 6.89134999873 "source-unit" "angstrom" } "beta" { "source-value" 94.0209548614 "source-unit" "degree" } }