{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.059981 0.303356 0.015044 ] [ 0.940019 0.803356 0.984956 ] [ 0.626805 0.945834 0.448043 ] [ 0.373195 0.445834 0.551957 ] [ 0.603479 0.276012 0.197686 ] [ 0.396521 0.776012 0.802314 ] [ 0.354738 0.072774 0.442341 ] [ 0.800956 0.16497 0.648966 ] [ 0.645262 0.572774 0.557659 ] [ 0.199044 0.66497 0.351034 ] [ 0.993482 0.013349 0.986493 ] [ 0.006518 0.513349 0.013507 ] [ 0.545418 0.027697 0.531593 ] [ 0.454582 0.527697 0.468407 ] [ 0.522968 0.282447 0.043717 ] [ 0.477032 0.782447 0.956283 ] [ 0.063679 0.241417 0.277405 ] [ 0.919336 0.26154 0.722698 ] [ 0.936321 0.741417 0.722595 ] [ 0.080664 0.76154 0.277302 ] ] } "species" { "source-value" [ "Mo" "Mo" "H" "H" "H" "H" "H" "H" "H" "H" "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" 4.31469973055 "source-unit" "angstrom" } "b" { "source-value" 8.24561816041 "source-unit" "angstrom" } "c" { "source-value" 6.45686848629 "source-unit" "angstrom" } "beta" { "source-value" 101.356924378 "source-unit" "degree" } }