{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.002521 0.021611 0.25 ] [ 0.502521 0.478389 0.75 ] [ 0.497479 0.521611 0.25 ] [ 0.997479 0.978389 0.75 ] [ 0.015495 0.339578 0.086286 ] [ 0.515495 0.160422 0.913714 ] [ 0.984505 0.660422 0.913714 ] [ 0.484505 0.839578 0.413714 ] [ 0.984505 0.660422 0.586286 ] [ 0.015495 0.339578 0.413714 ] [ 0.515495 0.160422 0.586286 ] [ 0.484505 0.839578 0.086286 ] [ 0.513667 0.178629 0.156294 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.013667 0.321371 0.843706 ] [ 0.986333 0.678629 0.156294 ] [ 0.486333 0.821371 0.656294 ] [ 0.486333 0.821371 0.843706 ] [ 0.513667 0.178629 0.343706 ] [ 0.013667 0.321371 0.656294 ] [ 0.986333 0.678629 0.343706 ] [ 0.740208 0.58733 0.419446 ] [ 0.715398 0.741473 0.75 ] [ 0.215398 0.758527 0.25 ] [ 0.784602 0.241473 0.75 ] [ 0.284602 0.258527 0.25 ] [ 0.759792 0.08733 0.419446 ] [ 0.259792 0.41267 0.580554 ] [ 0.740208 0.58733 0.080554 ] [ 0.240208 0.91267 0.919446 ] [ 0.240208 0.91267 0.580554 ] [ 0.259792 0.41267 0.919446 ] [ 0.759792 0.08733 0.080554 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.39757069 "source-unit" "angstrom" } "b" { "source-value" 9.07531703 "source-unit" "angstrom" } "c" { "source-value" 13.26714759 "source-unit" "angstrom" } }