{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.992447 0 0.749615 ] [ 0.954909 0 0.000631 ] [ 0.00165 0 0.500266 ] [ 0.015622 0 0.250218 ] [ 0.482041 0.5 0.874757 ] [ 0.550504 0.5 0.12444 ] [ 0.498169 0.5 0.624882 ] [ 0.506506 0.5 0.375448 ] [ 0.798514 0.5 0.050014 ] [ 0.715282 0 0.175989 ] [ 0.68499 0 0.923061 ] [ 0.703359 0 0.42532 ] [ 0.69697 0 0.674386 ] [ 0.287634 0 0.824768 ] [ 0.299338 0 0.574854 ] [ 0.308556 0 0.325128 ] [ 0.794534 0.5 0.798394 ] [ 0.804603 0.5 0.548901 ] [ 0.813921 0.5 0.298699 ] [ 0.302441 0 0.075609 ] [ 0.188522 0.5 0.953943 ] [ 0.192249 0.5 0.701048 ] [ 0.197589 0.5 0.451004 ] [ 0.209652 0.5 0.198624 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.75418684 "source-unit" "angstrom" } "b" { "source-value" 3.09834056 "source-unit" "angstrom" } "c" { "source-value" 18.98500937 "source-unit" "angstrom" } "beta" { "source-value" 93.81029306 "source-unit" "degree" } }