{ "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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 8.60431 8.02779 7.670486 7.410886 7.206871 7.038786 6.895851 6.771509 6.661476 6.562795 6.473342 6.391537 6.316175 6.246315 6.181207 6.120247 6.062937 6.008864 5.957683 5.9091 5.862864 5.818758 5.776594 5.73621 5.708717 5.679782 5.649245 5.616918 5.582579 5.545959 5.506735 5.464508 5.418778 5.368913 5.314088 5.253209 5.184768 5.106619 5.015543 4.906402 4.770208 4.58897 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.60431e-10 8.02779e-10 7.670486e-10 7.410886e-10 7.206871e-10 7.038786e-10 6.895851000000001e-10 6.771509000000001e-10 6.661476000000001e-10 6.562795000000001e-10 6.473342e-10 6.391537e-10 6.316175000000001e-10 6.246315e-10 6.181206999999999e-10 6.120247e-10 6.062937e-10 6.008864e-10 5.957683000000001e-10 5.9091e-10 5.862864e-10 5.818758e-10 5.776594000000001e-10 5.73621e-10 5.708717e-10 5.679782000000001e-10 5.649244999999999e-10 5.616918e-10 5.582579e-10 5.545959e-10 5.506735e-10 5.464508000000001e-10 5.418778e-10 5.368913e-10 5.314088000000001e-10 5.253209e-10 5.184768000000001e-10 5.106619000000001e-10 5.015543e-10 4.906402e-10 4.770208e-10 4.58897e-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" [ 0.999173 1.2246 1.35993 1.44721 1.5038 1.5478 1.69775 1.79994 1.84361 1.86001 1.86551 1.86427 1.85723 1.84508 1.82839 1.80765 1.78326 1.76986 1.84881 1.95034 2.03034 2.08112 2.10703 2.11438 2.11143 2.10275 2.08862 2.06936 2.04522 2.01619 1.98159 1.94012 1.88997 1.82868 1.75276 1.65719 1.53434 1.37218 1.15047 0.837869 0.357176 -0.483171 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6008516207345984e-19 1.96202548983168e-19 2.178848051924544e-19 2.3186860273879684e-19 2.40935320235904e-19 2.4798489736742404e-19 2.7200953579632003e-19 2.883821786842752e-19 2.953788839873088e-19 2.980064536454208e-19 2.988876507868608e-19 2.9868898088588166e-19 2.975610485448384e-19 2.956144039505664e-19 2.929403711704512e-19 2.89617456858912e-19 2.857097480807808e-19 2.8356283140890883e-19 2.962120158301248e-19 3.124789150611072e-19 3.252963280275072e-19 3.334321809079296e-19 3.375834205324224e-19 3.3876102034871043e-19 3.382883782455744e-19 3.3689768893872e-19 3.3463381337352964e-19 3.3154802120186884e-19 3.276803668392576e-19 3.230292481090752e-19 3.174857170011072e-19 3.108414905546496e-19 3.028065748013376e-19 2.9298683429245443e-19 2.808231093873408e-19 2.655111074223552e-19 2.458283676358272e-19 2.198474715529344e-19 1.8432561369317762e-19 1.3424141230930752e-19 5.722590367108608e-20 -7.741252800485569e-20 ] } }