{ "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" [ 7.83277 7.307946 6.982681 6.746359 6.560638 6.407626 6.277507 6.164315 6.064148 5.974316 5.892884 5.818414 5.74981 5.686214 5.626945 5.571451 5.519279 5.470056 5.423464 5.379237 5.337147 5.296996 5.258613 5.22185 5.184684 5.146384 5.106879 5.06609 5.023932 4.980309 4.935116 4.888235 4.839536 4.788871 4.736076 4.680962 4.623319 4.5629 4.499427 4.432574 4.36196 4.287137 4.20757 4.122619 4.031499 3.933247 3.826647 3.710151 3.581731 3.438663 3.277173 3.091802 2.874243 2.61092 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.83277e-10 7.307946e-10 6.982681e-10 6.746359e-10 6.560638e-10 6.407626e-10 6.277507e-10 6.164315000000001e-10 6.064148000000001e-10 5.974316000000001e-10 5.892883999999999e-10 5.818414e-10 5.74981e-10 5.686214e-10 5.626945e-10 5.571451e-10 5.519279e-10 5.470056e-10 5.423464e-10 5.379237e-10 5.337147e-10 5.296996e-10 5.258613000000001e-10 5.22185e-10 5.184684e-10 5.146384e-10 5.106879000000001e-10 5.066090000000001e-10 5.023932e-10 4.980309000000001e-10 4.935116e-10 4.888235000000001e-10 4.839536e-10 4.788871000000001e-10 4.736075999999999e-10 4.680962e-10 4.6233190000000003e-10 4.5629000000000003e-10 4.499427e-10 4.432574e-10 4.36196e-10 4.2871370000000005e-10 4.20757e-10 4.122619e-10 4.031499e-10 3.9332470000000004e-10 3.826647e-10 3.710151e-10 3.581731e-10 3.4386630000000003e-10 3.277173e-10 3.091802e-10 2.874243e-10 2.6109200000000004e-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" [ 0.906706 1.24015 1.49771 1.71583 1.90853 2.07873 2.22742 2.35572 2.46545 2.55919 2.63938 2.70802 2.76671 2.81672 2.85909 2.89468 2.92421 2.9483 2.96752 2.98235 2.99323 3.00057 3.00473 3.00605 3.00469 3.00039 2.99276 2.98136 2.96565 2.94502 2.91874 2.886 2.84587 2.79736 2.73946 2.67121 2.59201 2.50051 2.38842 2.24216 2.04209 1.75951 1.35223 0.757887 -0.114704 -1.40652 -3.346 -6.30072 -10.8841 -18.1671 -30.114 -50.5937 -87.6811 -161.068 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4527031671076039e-19 1.9869393526551e-19 2.39959596650814e-19 2.7490627339162197e-19 3.05780217128802e-19 3.3304926343948203e-19 3.5687202781042796e-19 3.7742795402464797e-19 3.9500863822953e-19 4.10027441996646e-19 4.22875296424692e-19 4.33872636840468e-19 4.432758115054139e-19 4.51288296852048e-19 4.58076719250306e-19 4.63778865890712e-19 4.68510093490914e-19 4.7236973700222e-19 4.75449120492768e-19 4.7782514844099e-19 4.795683166187819e-19 4.80744314268138e-19 4.814108197478819e-19 4.8162230706357e-19 4.81404411041346e-19 4.80715475088726e-19 4.79493014316984e-19 4.77666532954224e-19 4.751495134622099e-19 4.718442230662679e-19 4.67633702872116e-19 4.623881765724e-19 4.55958641740158e-19 4.48186482888624e-19 4.38909880177764e-19 4.2797502465071396e-19 4.15285785709434e-19 4.006258695083339e-19 3.8266707161782796e-19 3.59233636168944e-19 3.27178888252506e-19 2.81904580928934e-19 2.16651130979382e-19 1.2142688426123578e-19 -1.83776068626336e-20 -2.2534934792536797e-19 -5.360883017364e-19 -1.009486636137648e-18 -1.7438250702119398e-18 -2.91069031275414e-18 -4.8247947156276e-18 -8.106004396760579e-18 -1.404806096634174e-17 -2.58059386085112e-17 ] } }