{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm2m" } "basis-atom-coordinates" { "source-value" [ [ 0.925877 0 0 ] [ 0.612371 0 0.5 ] [ 0.425877 0.5 0 ] [ 0.112371 0.5 0.5 ] [ 0.998628 0.216381 0.5 ] [ 0.998628 0.783619 0.5 ] [ 0.498628 0.716381 0.5 ] [ 0.498628 0.283619 0.5 ] [ 0.169806 0.704095 0 ] [ 0.169806 0.295905 0 ] [ 0.225725 0 0.5 ] [ 0.669806 0.204095 0 ] [ 0.669806 0.795905 0 ] [ 0.725725 0.5 0.5 ] [ 0.311703 0.101521 0.5 ] [ 0.311703 0.898479 0.5 ] [ 0.074545 0.802081 0 ] [ 0.041837 0 0.5 ] [ 0.074545 0.197919 0 ] [ 0.715231 0.154387 0.226107 ] [ 0.715231 0.845613 0.773893 ] [ 0.715231 0.154387 0.773893 ] [ 0.715231 0.845613 0.226107 ] [ 0.811703 0.601521 0.5 ] [ 0.811703 0.398479 0.5 ] [ 0.574545 0.302081 0 ] [ 0.541837 0.5 0.5 ] [ 0.574545 0.697919 0 ] [ 0.215231 0.654387 0.226107 ] [ 0.215231 0.345613 0.773893 ] [ 0.215231 0.654387 0.773893 ] [ 0.215231 0.345613 0.226107 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ca" "Ca" "Ca" "Ca" "C" "C" "C" "C" "C" "C" "O" "O" "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" 7.19769039822 "source-unit" "angstrom" } "b" { "source-value" 11.1565917466 "source-unit" "angstrom" } "c" { "source-value" 5.0068968 "source-unit" "angstrom" } }