{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 5.79079 5.402786 5.162317 4.987604 4.8503 4.737177 4.64098 4.557297 4.483243 4.41683 4.356627 4.301571 4.250852 4.203835 4.160018 4.118991 4.08042 4.044029 4.009584 3.976887 3.945769 3.916085 3.887709 3.86053 3.842027 3.822553 3.802001 3.780245 3.757134 3.732489 3.70609 3.67767 3.646894 3.613333 3.576436 3.535463 3.489401 3.436806 3.37551 3.302056 3.210396 3.08842 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.79079e-10 5.402786e-10 5.162317e-10 4.987604000000001e-10 4.8503e-10 4.737177e-10 4.64098e-10 4.5572970000000005e-10 4.483243e-10 4.4168300000000005e-10 4.3566269999999995e-10 4.301571e-10 4.250852e-10 4.203835e-10 4.160018e-10 4.1189910000000007e-10 4.0804200000000004e-10 4.044029e-10 4.0095840000000004e-10 3.976887e-10 3.945769e-10 3.916085e-10 3.887709e-10 3.86053e-10 3.842027e-10 3.8225530000000003e-10 3.802001e-10 3.780245e-10 3.7571340000000004e-10 3.7324890000000004e-10 3.70609e-10 3.67767e-10 3.646894e-10 3.613333e-10 3.5764360000000003e-10 3.535463e-10 3.489401e-10 3.436806e-10 3.37551e-10 3.302056e-10 3.210396e-10 3.08842e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 0 0 0 0.107864 0.734152 1.74946 2.3128 2.75909 3.12047 3.40551 3.62414 3.7865 3.90226 3.98018 4.02795 4.05341 4.06974 4.07935 4.08249 4.08096 4.0759 4.06649 4.05166 4.03005 3.99986 3.9587 3.90338 3.82944 3.73062 3.59786 3.41755 3.16844 2.81573 2.29846 1.50055 0.172446 -2.38749 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.7281717902597122e-20 1.1762411705135617e-19 2.802943911024768e-19 3.7055140885862407e-19 4.420549492683072e-19 4.999544079907777e-19 5.456228503900608e-19 5.806512378506113e-19 6.066641774659201e-19 6.252109740283008e-19 6.376951342575744e-19 6.45348731975136e-19 6.494278736516929e-19 6.520442280734593e-19 6.5358391980604805e-19 6.540870032649792e-19 6.538418702419968e-19 6.53031168871872e-19 6.515235206716992e-19 6.491474927430528e-19 6.456851890655041e-19 6.408482178473088e-19 6.34253658876096e-19 6.253904178098305e-19 6.135439238756352e-19 5.977112145088896e-19 5.764407176911488e-19 5.47551871041504e-19 5.076400492407552e-19 4.511296776485184e-19 3.6825388758439684e-19 2.40414612834144e-19 2.762889495504768e-20 -3.8251806603937923e-19 ] } }