{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Zr" "Zr" ] } "a" { "source-value" [ 5.3845 5.023719 4.800122 4.637666 4.509996 4.40481 4.315362 4.23755 4.168693 4.106939 4.05096 3.999767 3.952606 3.908889 3.868145 3.829997 3.794133 3.760295 3.728266 3.697863 3.668929 3.641328 3.614942 3.58967 3.564121 3.537792 3.510635 3.482596 3.453615 3.423627 3.39256 3.360332 3.326855 3.292026 3.255733 3.217846 3.17822 3.136686 3.093053 3.047095 2.998553 2.947117 2.89242 2.834022 2.771383 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.3845e-10 5.023719e-10 4.800122000000001e-10 4.6376660000000005e-10 4.509996e-10 4.4048100000000007e-10 4.3153620000000007e-10 4.23755e-10 4.168693e-10 4.106939e-10 4.05096e-10 3.999767e-10 3.952606e-10 3.908889e-10 3.868145e-10 3.8299970000000003e-10 3.794133e-10 3.7602950000000004e-10 3.7282660000000005e-10 3.697863e-10 3.668929e-10 3.6413280000000003e-10 3.614942e-10 3.5896700000000003e-10 3.564121e-10 3.537792e-10 3.510635e-10 3.482596e-10 3.453615e-10 3.4236270000000003e-10 3.39256e-10 3.360332e-10 3.3268550000000003e-10 3.292026e-10 3.255733e-10 3.217846e-10 3.17822e-10 3.1366860000000003e-10 3.093053e-10 3.047095e-10 2.998553e-10 2.9471170000000003e-10 2.89242e-10 2.834022e-10 2.771383e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.53168 2.28758 2.89511 3.41071 3.86293 4.2559 4.59075 4.87661 5.11979 5.32839 5.50749 5.66162 5.79425 5.90801 6.00484 6.08621 6.15349 6.20807 6.25148 6.28533 6.31083 6.32846 6.33871 6.34202 6.33862 6.32743 6.30741 6.27726 6.23493 6.17812 6.10417 6.00987 5.89132 5.74373 5.56165 5.33694 5.06079 4.72028 4.29977 3.77865 3.13003 2.31767 1.29105 -0.0241439 -1.73436 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.45402190676512e-19 3.66510722440572e-19 4.63847759485974e-19 5.46455986735014e-19 6.189096184777619e-19 6.818703536640599e-19 7.355192382535499e-19 7.81319059513074e-19 8.20280790898686e-19 8.537021954839259e-19 8.823971789988658e-19 9.07091527458708e-19 9.2834119615545e-19 9.46567557543834e-19 9.62081433890856e-19 9.75118345161714e-19 9.85897789555266e-19 9.94642469623638e-19 1.0015975183918319e-18 1.007020886297922e-18 1.011106436714622e-18 1.013931074120364e-18 1.0155733051702138e-18 1.016103625636068e-18 1.015558885580508e-18 1.013766049927062e-18 1.010558492305794e-18 1.0057279297542839e-18 9.98945916062562e-19 9.898439506048079e-19 9.77995854396378e-19 9.62887328737758e-19 9.43893524741688e-19 9.20246999800482e-19 8.9107456764861e-19 8.55072056505996e-19 8.10827948758086e-19 7.56272232193752e-19 6.888991025574179e-19 6.054064738064099e-19 5.0148609297190195e-19 3.71331671932278e-19 2.0684901433257e-19 -3.868279243363259e-21 -2.7787510669442394e-19 ] } }