{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.18517 7.636733 7.296834 7.049879 6.855803 6.695906 6.559933 6.441648 6.336974 6.2431 6.158005 6.080185 6.008494 5.942036 5.880101 5.82211 5.767591 5.716153 5.667465 5.621248 5.577264 5.535307 5.495197 5.45678 5.417942 5.377919 5.336637 5.294013 5.249958 5.204373 5.157147 5.108157 5.057266 5.004322 4.949152 4.891559 4.831322 4.768186 4.701857 4.631996 4.558205 4.480016 4.39687 4.308097 4.212878 4.110205 3.99881 3.877073 3.742876 3.593372 3.424616 3.230906 3.00356 2.72839 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.18517e-10 7.636733e-10 7.296834e-10 7.049879e-10 6.855803e-10 6.695906e-10 6.559933e-10 6.441648e-10 6.336974e-10 6.2431e-10 6.158005e-10 6.080185000000001e-10 6.008494e-10 5.942036e-10 5.880101000000001e-10 5.82211e-10 5.767591000000001e-10 5.716153000000001e-10 5.667465000000001e-10 5.621248e-10 5.577264000000001e-10 5.535307000000001e-10 5.495197e-10 5.45678e-10 5.417942e-10 5.377919e-10 5.336636999999999e-10 5.294013e-10 5.249958000000001e-10 5.204373000000001e-10 5.157147e-10 5.108157000000001e-10 5.057266e-10 5.004322000000001e-10 4.949152e-10 4.891559e-10 4.831322e-10 4.768186e-10 4.701857000000001e-10 4.6319960000000004e-10 4.5582050000000004e-10 4.480016e-10 4.39687e-10 4.3080970000000004e-10 4.212878e-10 4.110205e-10 3.9988100000000003e-10 3.877073e-10 3.742876e-10 3.593372e-10 3.424616e-10 3.230906e-10 3.00356e-10 2.72839e-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" [ 0.794468 1.10922 1.34609 1.53728 1.6962 1.83125 1.94751 2.04842 2.13646 2.21349 2.28096 2.34005 2.3917 2.43663 2.47541 2.50862 2.53673 2.56014 2.57923 2.59431 2.60567 2.61358 2.61822 2.61973 2.61811 2.61292 2.60355 2.58931 2.56934 2.54266 2.50804 2.46406 2.40897 2.34069 2.25674 2.154 2.0282 1.87425 1.68602 1.45571 1.1728 0.823465 0.38981 -0.15231 -0.835943 -1.70802 -2.83489 -4.31648 -6.30204 -9.0314 -12.902 -18.6122 -27.4845 -42.254 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.272878066060712e-19 1.77716636596548e-19 2.1566739452610598e-19 2.46299409591552e-19 2.7176120065907995e-19 2.9339859610125e-19 3.12025501648134e-19 3.28193066061828e-19 3.42298629147564e-19 3.54640195759266e-19 3.6545008150886395e-19 3.7491734323917e-19 3.8319258555378e-19 3.90391165170342e-19 3.96604406156994e-19 4.0192523475850796e-19 4.0642895327668196e-19 4.10179648776876e-19 4.1323820397118198e-19 4.15654286335254e-19 4.17474358991478e-19 4.187416807089719e-19 4.1948509066714797e-19 4.19727019338882e-19 4.19467466724174e-19 4.1863593705112795e-19 4.1713469754506996e-19 4.1485319801825395e-19 4.1165365128015597e-19 4.07379044020644e-19 4.0183230851373593e-19 3.9478593567740394e-19 3.8595954460069797e-19 3.7501988254374597e-19 3.61569609701316e-19 3.451088469636e-19 3.2495346490787997e-19 3.0028795562745e-19 2.70130184845668e-19 2.33230454788014e-19 1.8790327563552e-19 1.3193363819168099e-19 6.2454447369954e-20 -2.4402752312453997e-20 -1.339328341955862e-19 -2.73654973440468e-19 -4.54199451796026e-19 -6.91576339712832e-19 -1.009698123453336e-18 -1.4469898052307598e-18 -2.0671282931867997e-18 -2.98200319473348e-18 -4.4035023697173e-18 -6.7698371493035994e-18 ] } }