{ "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" [ 8.01535 7.478293 7.145446 6.903615 6.713565 6.556986 6.423834 6.308003 6.205502 6.113575 6.030245 5.95404 5.883836 5.818758 5.758107 5.70132 5.647932 5.597561 5.549884 5.504626 5.461554 5.420467 5.38119 5.34357 5.317959 5.291005 5.262558 5.232444 5.200455 5.166342 5.129803 5.090466 5.047867 5.001415 4.950343 4.893631 4.829875 4.757075 4.672234 4.570563 4.443692 4.27486 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.01535e-10 7.478293e-10 7.145446e-10 6.903615e-10 6.713565000000001e-10 6.556986000000001e-10 6.423834000000001e-10 6.308003e-10 6.205502000000001e-10 6.113575e-10 6.030245e-10 5.954040000000001e-10 5.883836e-10 5.818758e-10 5.758107e-10 5.70132e-10 5.647932000000001e-10 5.597561e-10 5.549884e-10 5.504626e-10 5.461554e-10 5.420467000000001e-10 5.38119e-10 5.34357e-10 5.317959e-10 5.291005e-10 5.262558e-10 5.232444e-10 5.200455e-10 5.166342e-10 5.129803e-10 5.090466000000001e-10 5.047867000000001e-10 5.001415e-10 4.950343e-10 4.893631e-10 4.829875e-10 4.757075e-10 4.672234e-10 4.5705630000000003e-10 4.4436920000000004e-10 4.2748600000000006e-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" [ 0.363929 0.482709 0.680274 0.985143 1.27708 1.55112 1.7596 1.91983 2.04903 2.15663 2.24809 2.32682 2.39507 2.45445 2.50613 2.55095 2.58954 2.62235 2.6497 2.67183 2.6889 2.70102 2.70827 2.71068 2.70948 2.70548 2.69792 2.68582 2.66788 2.64234 2.6068 2.55791 2.49086 2.3986 2.2704 2.08937 1.82749 1.43539 0.818985 -0.220402 -2.15902 -6.36112 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.830785354311232e-20 7.733850744497472e-20 1.0899190985380994e-19 1.5783730827447744e-19 2.046107718891264e-19 2.4851682000552964e-19 2.81918998195968e-19 3.075906741910464e-19 3.2829079613178244e-19 3.455302165715904e-19 3.601837239454272e-19 3.7279766048098564e-19 3.837325159179456e-19 3.9324624069225604e-19 4.0152628946855043e-19 4.08707245082976e-19 4.1489004466264323e-19 4.2014678615548803e-19 4.2452873921337604e-19 4.280743560752064e-19 4.30809271566912e-19 4.3275110963132166e-19 4.339126876814016e-19 4.342988122470144e-19 4.341065510525185e-19 4.3346568040419846e-19 4.3225443487887363e-19 4.3031580116770564e-19 4.274414963099904e-19 4.233495372204672e-19 4.17655401510144e-19 4.0982236001105283e-19 3.9907976576858885e-19 3.84298084265088e-19 3.63758179986432e-19 3.3475397662008963e-19 2.9279617527457923e-19 2.299748299730112e-19 1.312158619785888e-19 -3.531229315775616e-20 -3.459131367839616e-19 -1.0191637746103297e-18 ] } }