{ "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" [ "Se" "Se" "Se" "Se" ] } "a" { "source-value" [ 6.96699 6.500176 6.210863 6.000662 5.83547 5.699369 5.583633 5.482952 5.393857 5.313954 5.241523 5.175285 5.114263 5.057697 5.004979 4.955619 4.909214 4.865431 4.823989 4.784651 4.747213 4.7115 4.67736 4.64466 4.622399 4.59897 4.574244 4.548069 4.520264 4.490613 4.458853 4.42466 4.387633 4.347256 4.302865 4.25357 4.198153 4.134875 4.06113 3.972757 3.86248 3.71573 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.966990000000001e-10 6.500176e-10 6.210863e-10 6.000662e-10 5.83547e-10 5.699369e-10 5.583633e-10 5.482952e-10 5.393857e-10 5.313954e-10 5.241523e-10 5.175285e-10 5.114263e-10 5.057697e-10 5.004979e-10 4.955619000000001e-10 4.909214e-10 4.865431e-10 4.823989000000001e-10 4.784651e-10 4.747213000000001e-10 4.7115e-10 4.67736e-10 4.64466e-10 4.6223989999999997e-10 4.5989699999999996e-10 4.574244e-10 4.548069e-10 4.5202640000000003e-10 4.490613e-10 4.4588530000000005e-10 4.4246600000000004e-10 4.387633e-10 4.347256e-10 4.302865e-10 4.25357e-10 4.1981529999999995e-10 4.134875e-10 4.0611300000000003e-10 3.972757e-10 3.86248e-10 3.71573e-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 3.4494e-05 0.130069 0.418453 0.681636 0.881237 1.03528 1.15986 1.26445 1.35433 1.43253 1.50083 1.56041 1.61205 1.65634 1.69374 1.72463 1.74932 1.76811 1.78125 1.78898 1.79151 1.79028 1.78622 1.77866 1.76676 1.74944 1.72529 1.69243 1.64836 1.58965 1.51151 1.40703 1.26601 1.07054 0.791707 0.384989 -0.229267 -1.23101 -3.07774 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 5.52654803578752e-24 2.083935108908352e-20 6.704356135036225e-20 1.092101263095629e-19 1.4118973187839298e-19 1.658701411981824e-19 1.858300575401088e-19 2.0258722281705602e-19 2.1698758628480643e-19 2.2951660745946244e-19 2.404594737795264e-19 2.5000524208625285e-19 2.58278882156064e-19 2.653749224095872e-19 2.713670629713792e-19 2.763161865530304e-19 2.802719606297856e-19 2.8328245050026885e-19 2.8538771058000003e-19 2.866261931078784e-19 2.870315437929408e-19 2.8683447606858243e-19 2.861839923605376e-19 2.849727468352128e-19 2.8306615665646084e-19 2.802911867492352e-19 2.764219302100032e-19 2.7115717783405445e-19 2.6409638546618885e-19 2.54690006525472e-19 2.421705984105408e-19 2.254310570764224e-19 2.0283716236990081e-19 1.715194159631232e-19 1.2684544459237057e-19 6.168203750651713e-20 -3.673262273209536e-20 -1.972295441971008e-19 -4.931083072900992e-19 ] } }