{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.819139 0.142422 0.469812 ] [ 0.180861 0.857578 0.530188 ] [ 0.680591 0.103223 0.831295 ] [ 0.319409 0.896777 0.168705 ] [ 0.916026 0.526872 0.178961 ] [ 0.083974 0.473128 0.821039 ] [ 0.274634 0.479328 0.488717 ] [ 0.725366 0.520672 0.511283 ] [ 0.143114 0.246092 0.177442 ] [ 0.856886 0.753908 0.822558 ] [ 0.605289 0.787548 0.496792 ] [ 0.394711 0.212452 0.503208 ] [ 0.405625 0.561358 0.206588 ] [ 0.594375 0.438642 0.793412 ] [ 0.088951 0.173504 0.699908 ] [ 0.911049 0.826496 0.300092 ] [ 0.048336 0.185103 0.839233 ] [ 0.951664 0.814897 0.160767 ] [ 0.701231 0.260544 0.08548 ] [ 0.298769 0.739456 0.91452 ] [ 0.52141 0.24977 0.1253 ] [ 0.47859 0.75023 0.8747 ] [ 0.312267 0.025362 0.894213 ] [ 0.687733 0.974638 0.105787 ] [ 0.370076 0.176521 0.89242 ] [ 0.629924 0.823479 0.10758 ] [ 0.094241 0.412398 0.553935 ] [ 0.905759 0.587602 0.446065 ] [ 0.99756 0.260918 0.050286 ] [ 0.00244 0.739082 0.949714 ] [ 0.175046 0.088915 0.118298 ] [ 0.824954 0.911085 0.881702 ] [ 0.791828 0.859855 0.436634 ] [ 0.208172 0.140145 0.563366 ] [ 0.563385 0.929776 0.591989 ] [ 0.436615 0.070224 0.408011 ] [ 0.603686 0.60613 0.154619 ] [ 0.396314 0.39387 0.845381 ] [ 0.250986 0.580621 0.08931 ] [ 0.749014 0.419379 0.91069 ] [ 0.341728 0.660288 0.559581 ] [ 0.658272 0.339712 0.440419 ] [ 0.361534 0.360895 0.150878 ] [ 0.638466 0.639105 0.849122 ] [ 0.427804 0.734092 0.336952 ] [ 0.572196 0.265908 0.663048 ] [ 0.290411 0.280767 0.376157 ] [ 0.709589 0.719233 0.623843 ] [ 0.188227 0.463939 0.309466 ] [ 0.811773 0.536061 0.690534 ] [ 0.543487 0.559805 0.403342 ] [ 0.456513 0.440195 0.596658 ] [ 0.003887 0.193738 0.754199 ] [ 0.996113 0.806262 0.245801 ] [ 0.596464 0.194778 0.095782 ] [ 0.403536 0.805222 0.904218 ] [ 0.327117 0.082219 0.834905 ] [ 0.672883 0.917781 0.165095 ] [ 0.955737 0.197379 0.273915 ] [ 0.044263 0.802621 0.726085 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.12404701 "source-unit" "angstrom" } "b" { "source-value" 10.60426603 "source-unit" "angstrom" } "c" { "source-value" 10.71918703 "source-unit" "angstrom" } "alpha" { "source-value" 103.98709911 "source-unit" "degree" } "beta" { "source-value" 96.59668925 "source-unit" "degree" } "gamma" { "source-value" 106.42890101 "source-unit" "degree" } }