{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 8.73364 8.148455 7.78578 7.522278 7.315197 7.144585 6.999501 6.87329 6.761603 6.661439 6.570641 6.487607 6.411112 6.340202 6.274116 6.212239 6.154068 6.099183 6.047232 5.997919 5.950987 5.906219 5.863421 5.82243 5.780989 5.738284 5.694236 5.648756 5.601749 5.553109 5.502718 5.450445 5.396145 5.339653 5.280785 5.219334 5.15506 5.087693 5.01692 4.942377 4.863642 4.780213 4.691495 4.596773 4.495174 4.385621 4.266762 4.136867 3.993677 3.834154 3.65409 3.447399 3.204819 2.91121 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.73364e-10 8.148455e-10 7.78578e-10 7.522278e-10 7.315197000000001e-10 7.144585000000001e-10 6.999501000000001e-10 6.87329e-10 6.761603000000001e-10 6.661439e-10 6.570641000000001e-10 6.487607e-10 6.411112e-10 6.340202e-10 6.274116e-10 6.212239000000001e-10 6.154068e-10 6.099183e-10 6.047232e-10 5.997918999999999e-10 5.950986999999999e-10 5.906219000000001e-10 5.863421e-10 5.82243e-10 5.780989000000001e-10 5.738284000000001e-10 5.694236e-10 5.648756e-10 5.601749000000001e-10 5.553109e-10 5.502718e-10 5.450445e-10 5.396144999999999e-10 5.339653e-10 5.280785e-10 5.219334e-10 5.15506e-10 5.087693e-10 5.01692e-10 4.942376999999999e-10 4.863642e-10 4.780213e-10 4.691495e-10 4.596773e-10 4.4951739999999996e-10 4.385621000000001e-10 4.266762e-10 4.136867e-10 3.9936770000000003e-10 3.834154e-10 3.65409e-10 3.447399e-10 3.204819e-10 2.9112100000000003e-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" [ 0.171803 0.518325 0.832816 1.10549 1.3204 1.48428 1.6083 1.70382 1.77858 1.83804 1.8855 1.92352 1.95422 1.97938 2.0003 2.01768 2.03202 2.04373 2.05315 2.06054 2.06607 2.06987 2.07207 2.07279 2.07207 2.06986 2.06595 2.06014 2.05217 2.04174 2.02849 2.01199 1.99169 1.96697 1.93699 1.90128 1.8609 1.81757 1.77342 1.73111 1.69401 1.66632 1.65122 1.6364 1.59233 1.47575 1.22975 0.757914 -0.0998861 -1.74048 -5.14793 -12.3384 -25.0215 -48.7568 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.75258752251102e-20 8.3044820381805e-20 1.334318335621344e-19 1.77119024712066e-19 2.1155140275335998e-19 2.3780787343135197e-19 2.5767806804621997e-19 2.7298205925418795e-19 2.84959931769972e-19 2.94486474035736e-19 3.0209040434069996e-19 3.0818187990316795e-19 3.13100562169548e-19 3.1713163858069197e-19 3.2048339209902e-19 3.2326797508891196e-19 3.25565496382068e-19 3.27441645220482e-19 3.2895089560971e-19 3.3013490414223596e-19 3.3102090782083797e-19 3.31629734941758e-19 3.31982213801238e-19 3.3209757051888597e-19 3.31982213801238e-19 3.3162813276512394e-19 3.3100168170122996e-19 3.30070817076876e-19 3.2879388229957796e-19 3.2712281207031594e-19 3.24999928030266e-19 3.2235633658416597e-19 3.19103918017146e-19 3.15143337377898e-19 3.10340011829166e-19 3.04618639069152e-19 2.9814904982105997e-19 2.9120681846593796e-19 2.84133208626828e-19 2.77354399288374e-19 2.71410323976234e-19 2.6697389687668797e-19 2.64554610159348e-19 2.6218018438776e-19 2.55119391961722e-19 2.3644121676255e-19 1.9702767156614997e-19 1.214312101381476e-19 -1.600351754813874e-20 -2.7885563879443197e-19 -8.247893159467619e-19 -1.97682961809456e-18 -4.008886264763099e-18 -7.81170057086112e-18 ] } }