{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.25003 0.07837 0.742507 ] [ 0.25003 0.42163 0.242507 ] [ 0.74997 0.92163 0.257493 ] [ 0.74997 0.57837 0.757493 ] [ 0.253291 0.754129 0.985705 ] [ 0.253291 0.745871 0.485705 ] [ 0.746709 0.254129 0.514295 ] [ 0.746709 0.245871 0.014295 ] [ 0.247454 0.436419 0.746389 ] [ 0.752546 0.563581 0.253611 ] [ 0.752546 0.936419 0.753611 ] [ 0.247454 0.063581 0.246389 ] [ 0.440561 0.18529 0.411685 ] [ 0.652521 0.457756 0.399235 ] [ 0.559439 0.68529 0.088315 ] [ 0.049987 0.31605 0.584327 ] [ 0.950013 0.81605 0.915673 ] [ 0.255094 0.691685 0.25197 ] [ 0.744906 0.191685 0.24803 ] [ 0.347479 0.957756 0.100765 ] [ 0.652521 0.042244 0.899235 ] [ 0.559439 0.81471 0.588315 ] [ 0.255094 0.808315 0.75197 ] [ 0.153553 0.545951 0.894108 ] [ 0.049987 0.18395 0.084327 ] [ 0.846447 0.045951 0.605892 ] [ 0.347479 0.542244 0.600765 ] [ 0.744906 0.308315 0.74803 ] [ 0.153553 0.954049 0.394108 ] [ 0.950013 0.68395 0.415673 ] [ 0.846447 0.454049 0.105892 ] [ 0.440561 0.31471 0.911685 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ti" "Ti" "Ti" "Ti" "Ge" "Ge" "Ge" "Ge" "O" "O" "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" 6.89623324359 "source-unit" "angstrom" } "b" { "source-value" 9.1668598 "source-unit" "angstrom" } "c" { "source-value" 7.34878247104 "source-unit" "angstrom" } "beta" { "source-value" 113.964449282 "source-unit" "degree" } }