{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.07217 7.531305 7.196099 6.952554 6.761157 6.603467 6.469372 6.35272 6.249492 6.156914 6.072993 5.996247 5.925546 5.860007 5.798926 5.741736 5.68797 5.637242 5.589226 5.543648 5.500271 5.458893 5.419337 5.38145 5.343148 5.303678 5.262965 5.22093 5.177484 5.132528 5.085954 5.03764 4.987452 4.935239 4.88083 4.824033 4.764627 4.702363 4.63695 4.568054 4.495282 4.418172 4.336174 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.07217e-10 7.531305e-10 7.196099e-10 6.952554e-10 6.761157e-10 6.603467000000001e-10 6.469372e-10 6.35272e-10 6.249492000000001e-10 6.156914000000001e-10 6.072993e-10 5.996247000000001e-10 5.925546e-10 5.860007000000001e-10 5.798926e-10 5.741736000000001e-10 5.68797e-10 5.637242e-10 5.589226000000001e-10 5.543648e-10 5.500271e-10 5.458892999999999e-10 5.419336999999999e-10 5.38145e-10 5.343148000000001e-10 5.303678e-10 5.262965000000001e-10 5.22093e-10 5.177484e-10 5.132528e-10 5.085954000000001e-10 5.03764e-10 4.987452000000001e-10 4.935239000000001e-10 4.88083e-10 4.824033e-10 4.764627000000001e-10 4.702363e-10 4.6369499999999997e-10 4.5680540000000003e-10 4.495282e-10 4.418172e-10 4.336174e-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" [ 1.35122 2.0254 2.61791 3.16097 3.66858 4.14408 4.59265 5.01431 5.41039 5.78167 6.129 6.45304 6.75292 7.0285 7.28062 7.50885 7.7119 7.88935 8.04074 8.16558 8.26334 8.33348 8.37667 8.39125 8.37479 8.31974 8.21593 8.05121 7.80851 7.46667 6.99839 6.36807 5.5289 4.41932 2.95553 1.02447 -1.52769 -4.92006 -9.46088 -15.5915 -23.968 -35.5762 -51.9493 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.16489311139348e-19 3.2450485545035994e-19 4.19435423191494e-19 5.064432274774979e-19 5.87771315595972e-19 6.639548145426719e-19 7.358236518140099e-19 8.033810317632539e-19 8.668400438827258e-19 9.26325657949878e-19 9.819740589786e-19 1.033890990626736e-18 1.0819370635271278e-18 1.1260898472069e-18 1.166483924503308e-18 1.2030504018210899e-18 1.23558259837446e-18 1.26401322274479e-18 1.2882685748069159e-18 1.308270147905772e-18 1.3239330266797558e-18 1.335170693590632e-18 1.342090494472878e-18 1.3444264680052499e-18 1.341789285265686e-18 1.3329693028955158e-18 1.3163371072579619e-18 1.2899460537427138e-18 1.2510612268355339e-18 1.196292420778878e-18 1.1212656933619259e-18 1.020277295767638e-18 8.8582743917226e-19 7.08053124216888e-19 4.73528110708602e-19 1.64138189623398e-19 -2.44762922199546e-19 -7.88280516987804e-19 -1.5158000873077918e-18 -2.4980336989010998e-18 -3.8400969563711995e-18 -5.699935636651079e-18 -8.32319546126562e-18 ] } }