{ "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" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" [ 8.0055 7.469102 7.136664 6.89513 6.705313 6.548926 6.415938 6.300249 6.197873 6.10606 6.022832 5.94672 5.876603 5.811605 5.751028 5.694311 5.640989 5.59068 5.54306 5.497858 5.45484 5.413803 5.374574 5.337 5.31142 5.284499 5.256087 5.22601 5.194061 5.15999 5.123495 5.084206 5.041659 4.995264 4.944255 4.887612 4.823935 4.751224 4.666487 4.564941 4.438225 4.2696 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.0055e-10 7.469102e-10 7.136664e-10 6.895130000000001e-10 6.705313000000001e-10 6.548926e-10 6.415938e-10 6.300249e-10 6.197873000000001e-10 6.106060000000001e-10 6.022832e-10 5.94672e-10 5.876603e-10 5.811605e-10 5.751028e-10 5.694311e-10 5.640989e-10 5.59068e-10 5.54306e-10 5.497858e-10 5.45484e-10 5.413803e-10 5.374574e-10 5.337e-10 5.31142e-10 5.284499e-10 5.256087e-10 5.226009999999999e-10 5.194061e-10 5.15999e-10 5.123495e-10 5.084206e-10 5.041659000000001e-10 4.995264e-10 4.944255e-10 4.887612e-10 4.823935e-10 4.751223999999999e-10 4.666487e-10 4.564941e-10 4.4382250000000005e-10 4.2696e-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" [ 1.35173 2.02616 2.6189 3.16216 3.66996 4.14565 4.59439 5.01621 5.41244 5.78387 6.13133 6.4555 6.75549 7.03117 7.28339 7.51172 7.71485 7.89237 8.04382 8.16871 8.26651 8.33668 8.37989 8.39448 8.38714 8.36242 8.31536 8.23941 8.12619 7.96354 7.73472 7.41635 6.97459 6.35918 5.49296 4.2535 2.43439 -0.329051 -4.73961 -12.2977 -26.7023 -59.507 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.1657102036339843e-19 3.2462661820001283e-19 4.1959403522131203e-19 5.066338823228928e-19 5.879924111271168e-19 6.64206350801952e-19 7.361024244837312e-19 8.036854387023168e-19 8.671684829482753e-19 9.266781291746497e-19 9.823473580409665e-19 1.03428511755744e-18 1.0823488140048192e-18 1.1265176190870338e-18 1.1669277178168511e-18 1.2035102165995777e-18 1.236055230297888e-18 1.2644970696703297e-18 1.2887620345923456e-18 1.308771618409517e-18 1.3244409057609409e-18 1.3356833791090944e-18 1.3426063842875713e-18 1.3449439599773183e-18 1.3437679623376514e-18 1.3398073817310337e-18 1.3322675385535488e-18 1.3200990071185729e-18 1.3019591634178753e-18 1.2758997606805633e-18 1.2392387552434177e-18 1.1882302581670082e-18 1.1174525037665473e-18 1.0188529523458944e-18 8.800692090989569e-19 6.8148582565728e-19 3.9003227439093125e-19 -5.2719781925086083e-20 -7.593692333709888e-19 -1.970308742961216e-18 -4.2781800781587845e-18 -9.534072417394561e-18 ] } }