{ "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" [ [ 0.006313 0 0.004198 ] [ 0.493783 0 0.007117 ] [ 0.249688 0.5 0.149899 ] [ 0.783958 0.5 0.167967 ] [ 0.000034 0 0.334002 ] [ 0.498121 0 0.344018 ] [ 0.72477 0.5 0.500685 ] [ 0.243942 0.5 0.484774 ] [ 0.997712 0 0.679613 ] [ 0.513701 0 0.667754 ] [ 0.220982 0.5 0.834729 ] [ 0.747825 0.5 0.819702 ] [ 0.409655 0.5 0.064213 ] [ 0.903126 0.5 0.064904 ] [ 0.155897 0 0.105012 ] [ 0.857652 0 0.238509 ] [ 0.402881 0.5 0.398248 ] [ 0.145518 0 0.431249 ] [ 0.657717 0 0.431684 ] [ 0.593219 0.5 0.602558 ] [ 0.901409 0.5 0.729336 ] [ 0.154292 0 0.765884 ] [ 0.645587 0 0.772543 ] [ 0.09587 0.5 0.936355 ] [ 0.657381 0 0.103265 ] [ 0.350419 0 0.231744 ] [ 0.103806 0.5 0.270106 ] [ 0.596225 0.5 0.264383 ] [ 0.904644 0.5 0.402039 ] [ 0.339522 0 0.566037 ] [ 0.850914 0 0.562438 ] [ 0.097449 0.5 0.59883 ] [ 0.399468 0.5 0.73192 ] [ 0.353999 0 0.897622 ] [ 0.841369 0 0.897776 ] [ 0.601152 0.5 0.938889 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.51866751 "source-unit" "angstrom" } "b" { "source-value" 3.09866466 "source-unit" "angstrom" } "c" { "source-value" 14.24224863 "source-unit" "angstrom" } "beta" { "source-value" 90.36493825 "source-unit" "degree" } }