{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" ] } "a" { "source-value" [ 12.7254 11.872751 11.344314 10.960375 10.658647 10.410056 10.19866 10.014764 9.852029 9.706084 9.573787 9.452801 9.341344 9.238023 9.141732 9.051574 8.966815 8.886844 8.81115 8.739297 8.670916 8.605685 8.543327 8.4836 8.423219 8.360996 8.296814 8.230548 8.162057 8.091185 8.017763 7.941599 7.86248 7.780169 7.694396 7.604857 7.511207 7.41305 7.309929 7.201317 7.086595 6.965035 6.835769 6.697754 6.549718 6.390094 6.21691 6.027646 5.81901 5.586578 5.324215 5.023056 4.669604 4.2418 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.27254e-09 1.1872751e-09 1.1344314e-09 1.0960375000000001e-09 1.0658647000000001e-09 1.0410056000000002e-09 1.019866e-09 1.0014764e-09 9.852029e-10 9.706084000000001e-10 9.573787e-10 9.452800999999999e-10 9.341344e-10 9.238023000000001e-10 9.141731999999999e-10 9.051574000000001e-10 8.966815000000001e-10 8.886844e-10 8.81115e-10 8.739297000000001e-10 8.670916e-10 8.605685e-10 8.543327e-10 8.4836e-10 8.423219e-10 8.360996e-10 8.296814e-10 8.230548e-10 8.162057000000001e-10 8.091184999999999e-10 8.017763000000001e-10 7.941599e-10 7.86248e-10 7.780169e-10 7.694396000000001e-10 7.604857e-10 7.511207e-10 7.413050000000001e-10 7.309929000000001e-10 7.201317000000001e-10 7.086595000000001e-10 6.965035000000001e-10 6.835769e-10 6.697754e-10 6.549718e-10 6.390094000000001e-10 6.216910000000001e-10 6.027646e-10 5.819009999999999e-10 5.586578e-10 5.324215e-10 5.023056e-10 4.669604e-10 4.2418e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.00536494 0.00801669 0.0103451 0.0124365 0.0144101 0.0162312 0.0180059 0.0196207 0.021138 0.0225608 0.023954 0.0251967 0.0263474 0.027437 0.0284036 0.0292756 0.0300516 0.0307299 0.031329 0.0318078 0.0321833 0.0324535 0.0326766 0.0327323 0.0326695 0.0324596 0.0320638 0.0314329 0.0306241 0.0293235 0.027541 0.0252316 0.0220412 0.0178186 0.0122458 0.00490678 -0.00482172 -0.0177226 -0.0350307 -0.0583238 -0.0902726 -0.134489 -0.196889 -0.286727 -0.419477 -0.621323 -0.940032 -1.46637 -2.3862 -4.1152 -7.68971 -16.104 -39.9537 -129.853 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.59558151081196e-22 1.284415340002146e-21 1.6574677496393397e-21 1.9925469708741e-21 2.3087525513603398e-21 2.60052493817808e-21 2.8848632254140597e-21 3.14358270827238e-21 3.3866809689492e-21 3.614638660434719e-21 3.8378539090836e-21 4.036956399390779e-21 4.22131886466516e-21 4.3958920307058e-21 4.55075842414824e-21 4.69046822663304e-21 4.81479713343144e-21 4.92347277451566e-21 5.0194591766586e-21 5.096171393894519e-21 5.1563331265012194e-21 5.1996239391519005e-21 5.23536849985644e-21 5.2442926237078196e-21 5.2342309544462995e-21 5.2006012668986395e-21 5.13718711572492e-21 5.03610579188586e-21 4.90652174572794e-21 4.6981426527099e-21 4.412554667699399e-21 4.04254799584344e-21 3.5313895625320796e-21 2.8548544570592398e-21 1.96199346246372e-21 7.86152826417852e-22 -7.725247119690479e-22 -2.83947356137284e-21 -5.6125369012663796e-21 -9.34450295660892e-21 -1.446326504104284e-20 -2.1547513333002598e-20 -3.15450955291626e-20 -4.59387299736918e-20 -6.72076247900418e-20 -9.954691927667819e-20 -1.5060973056122878e-19 -2.3493837507985796e-19 -3.8231138840508e-19 -6.593277284236799e-19 -1.2320273684236139e-18 -2.5801452513935995e-18 -6.401288458184579e-18 -2.08047442454802e-17 ] } }