{ "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" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" ] } "a" { "source-value" [ 11.9591 11.157799 10.661185 10.300369 10.016811 9.783191 9.584526 9.411704 9.25877 9.121614 8.997283 8.883583 8.778839 8.68174 8.591248 8.50652 8.426865 8.35171 8.280574 8.213049 8.148785 8.087482 8.02888 7.97275 7.934538 7.894321 7.851878 7.806947 7.759218 7.708321 7.653803 7.595111 7.531551 7.462243 7.386043 7.301426 7.206301 7.097681 6.971095 6.819399 6.630102 6.3782 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.19591e-09 1.1157799e-09 1.0661185e-09 1.0300369e-09 1.0016811000000001e-09 9.783191000000001e-10 9.584526000000001e-10 9.411704e-10 9.258770000000001e-10 9.121613999999999e-10 8.997283e-10 8.883583e-10 8.778839e-10 8.681739999999999e-10 8.591248e-10 8.506520000000001e-10 8.426864999999999e-10 8.351710000000001e-10 8.280574e-10 8.213049000000001e-10 8.148785e-10 8.087482e-10 8.02888e-10 7.97275e-10 7.934538000000001e-10 7.894321e-10 7.851878000000001e-10 7.806947000000001e-10 7.759218e-10 7.708321e-10 7.653803e-10 7.595111e-10 7.531551000000001e-10 7.462243000000001e-10 7.386043e-10 7.301426e-10 7.206301000000001e-10 7.097681e-10 6.971095e-10 6.819399e-10 6.630102e-10 6.3782e-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 0 0.490447 0.526755 0.555759 0.57964 0.599684 0.616722 0.631326 0.643911 0.654787 0.664193 0.672319 0.679316 0.685311 0.690407 0.694691 0.698239 0.701114 0.703371 0.705059 0.706221 0.706893 0.707111 0.707007 0.706666 0.706038 0.705061 0.703653 0.701711 0.699102 0.695646 0.691103 0.68514 0.677284 0.666847 0.652782 0.633423 0.605958 0.565242 0.509564 0.396722 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 7.857827171414977e-20 8.43954545889504e-20 8.904240765991873e-20 9.286856564805122e-20 9.607996846678273e-20 9.880975699330176e-20 1.011495757303181e-19 1.0316591500759488e-19 1.0490844230037697e-19 1.0641544962990145e-19 1.0771737835196353e-19 1.0883842133353729e-19 1.0979892621770688e-19 1.1061539542366656e-19 1.1130176788801727e-19 1.1187022015307714e-19 1.1233084593155712e-19 1.1269245719487168e-19 1.1296290460846272e-19 1.1314907753179968e-19 1.1325674380071744e-19 1.132916712510509e-19 1.1327500861419457e-19 1.132203743914253e-19 1.1311975769963906e-19 1.129632250437869e-19 1.1273763857557825e-19 1.1242649587581888e-19 1.1200848799545217e-19 1.1145477575530369e-19 1.1072690691647425e-19 1.097715289974912e-19 1.0851285904419074e-19 1.0684066730506177e-19 1.0458720588790656e-19 1.0148555216769984e-19 9.708517407867265e-20 9.056175174942337e-20 8.164115276013312e-20 6.356187133570177e-20 ] } }