{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 8.16912 7.621759 7.282526 7.036056 6.84236 6.682776 6.54707 6.429017 6.324548 6.230859 6.14593 6.068262 5.996712 5.930385 5.868571 5.810693 5.756282 5.704944 5.656352 5.610226 5.566328 5.524453 5.484422 5.44608 5.419978 5.392506 5.363513 5.332821 5.300219 5.265451 5.228211 5.188119 5.144702 5.097358 5.045307 4.987506 4.922527 4.848329 4.76186 4.658238 4.528932 4.35686 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.169119999999999e-10 7.621759e-10 7.282526e-10 7.036056000000001e-10 6.842360000000001e-10 6.682776e-10 6.54707e-10 6.429017e-10 6.324548e-10 6.230859e-10 6.14593e-10 6.068262e-10 5.996712e-10 5.930385000000001e-10 5.868571000000001e-10 5.810693e-10 5.756282e-10 5.704944e-10 5.656352e-10 5.610226e-10 5.566328e-10 5.524453e-10 5.484422000000001e-10 5.44608e-10 5.419978e-10 5.392506000000001e-10 5.363513e-10 5.332821e-10 5.300219000000001e-10 5.265451e-10 5.228211e-10 5.188119000000001e-10 5.144701999999999e-10 5.097358e-10 5.045307e-10 4.987506e-10 4.922527e-10 4.848329e-10 4.761860000000001e-10 4.658238e-10 4.528932e-10 4.3568600000000004e-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" [ 0.943094 1.31456 1.59242 1.81466 1.99847 2.1553 2.30146 2.42913 2.5343 2.62482 2.70362 2.77225 2.83184 2.88332 2.92744 2.96498 2.99657 3.02323 3.04636 3.06711 3.08454 3.09678 3.10356 3.10565 3.10469 3.10162 3.09605 3.08747 3.0752 3.05835 3.03577 3.00588 2.96656 2.91487 2.8466 2.75558 2.63238 2.46192 2.21877 1.8589 1.28674 0.257069 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5110031580167553e-19 2.1061572986388481e-19 2.551338094494336e-19 2.907405826700928e-19 3.201901911370176e-19 3.45317127081024e-19 3.687345405706368e-19 3.8918952948839037e-19 4.0603962100934403e-19 4.2054252378082564e-19 4.3316767555272963e-19 4.441634137012801e-19 4.537107841846272e-19 4.619587894285056e-19 4.690275926794752e-19 4.750421637139585e-19 4.801034396590657e-19 4.843748425301184e-19 4.880806770540288e-19 4.914051935421888e-19 4.941977873922432e-19 4.961588515761024e-19 4.972451273250048e-19 4.97579982238752e-19 4.974261732831553e-19 4.969343050605697e-19 4.96041892682784e-19 4.946672251421376e-19 4.927013544284161e-19 4.90001686822368e-19 4.863839720126016e-19 4.815950660930304e-19 4.752953076200448e-19 4.670136566671297e-19 4.560755968769281e-19 4.414925852744064e-19 4.217537693061504e-19 3.9444306662799362e-19 3.5548614209324166e-19 2.97828612040512e-19 2.061584745048192e-19 4.118699417324352e-20 ] } }