{ "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 8.29036 7.734876 7.390609 7.140481 6.94391 6.781959 6.644238 6.524433 6.418415 6.323335 6.237145 6.158325 6.085713 6.018402 5.95567 5.896934 5.841715 5.789616 5.740302 5.693492 5.648942 5.606446 5.565821 5.52691 5.487573 5.447035 5.405222 5.362051 5.31743 5.271259 5.223425 5.173806 5.122261 5.068637 5.012757 4.954424 4.893413 4.829465 4.762284 4.691525 4.616785 4.537591 4.453376 4.363462 4.267019 4.163027 4.0502 3.926898 3.790976 3.63955 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.29036e-10 7.734876e-10 7.390609000000001e-10 7.140481e-10 6.94391e-10 6.781959e-10 6.644238e-10 6.524433e-10 6.418415000000001e-10 6.323335e-10 6.237145e-10 6.158325e-10 6.085713e-10 6.018402e-10 5.95567e-10 5.896934e-10 5.841715e-10 5.789616e-10 5.740302e-10 5.693492000000001e-10 5.648942e-10 5.606446000000001e-10 5.565821e-10 5.52691e-10 5.487573e-10 5.447035e-10 5.405222e-10 5.362051e-10 5.31743e-10 5.271259e-10 5.223424999999999e-10 5.173806e-10 5.122261e-10 5.068637e-10 5.012757e-10 4.954424e-10 4.893413e-10 4.829465e-10 4.762284e-10 4.691525e-10 4.6167850000000004e-10 4.537591e-10 4.453376e-10 4.3634620000000003e-10 4.2670190000000007e-10 4.163027e-10 4.0502e-10 3.926898e-10 3.790976e-10 3.63955e-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" [ 0.67639 0.989474 1.22953 1.42982 1.59873 1.74391 1.87024 1.98104 2.07869 2.16788 2.24831 2.32001 2.38384 2.44052 2.49062 2.53464 2.571 2.6002 2.62439 2.64375 2.65848 2.66881 2.67489 2.67689 2.67471 2.66763 2.65465 2.63457 2.60594 2.56738 2.51656 2.45043 2.36551 2.25741 2.11949 1.94495 1.72497 1.44813 1.09837 0.653623 0.0851022 -0.646807 -1.59763 -2.83979 -4.47749 -6.66278 -9.61825 -13.6779 -19.3636 -27.5251 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.08369625347126e-19 1.5853121227505159e-19 1.96992423680202e-19 2.29082419482588e-19 2.56144785007482e-19 2.79405185379894e-19 2.99645482797216e-19 3.1739759990193597e-19 3.3304285473294596e-19 3.4733266813159196e-19 3.60218974798854e-19 3.7170658126463395e-19 3.81933274719456e-19 3.9101441188096794e-19 3.9904131681730796e-19 4.0609409836017597e-19 4.119196126014e-19 4.1659796837268e-19 4.2047363365032597e-19 4.2357544761374994e-19 4.2593545379563195e-19 4.27590502258554e-19 4.2856462565202595e-19 4.28885060978826e-19 4.28535786472614e-19 4.2740144541574194e-19 4.2532182014481e-19 4.2210464946373797e-19 4.1751761776059594e-19 4.11339624659892e-19 4.03197363005904e-19 3.92602168925262e-19 3.78996484949334e-19 3.61676955535794e-19 3.3957973539966595e-19 3.1161534442983e-19 2.7637066283509797e-19 2.32016004899442e-19 1.75978274948658e-19 1.0472194980449818e-19 1.3634875634199478e-20 -1.036299062107638e-19 -2.55968545577742e-19 -4.549845183466859e-19 -7.173729856968661e-19 -1.0674950433482519e-18 -1.5410135409970499e-18 -2.1914411782188596e-18 -3.1023907470122402e-18 -4.4100072068513395e-18 ] } }