{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 7.78761 7.265811 6.942421 6.707461 6.522811 6.37068 6.241312 6.128772 6.029183 5.939868 5.858906 5.784865 5.716657 5.653427 5.5945 5.539325 5.487455 5.438515 5.392192 5.34822 5.306372 5.266453 5.228291 5.19174 5.166857 5.140668 5.113029 5.083771 5.052691 5.019547 4.984046 4.945826 4.904437 4.859305 4.809684 4.754583 4.692638 4.621906 4.539475 4.440693 4.317425 4.15339 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.78761e-10 7.265811e-10 6.942421e-10 6.707461000000001e-10 6.522811e-10 6.37068e-10 6.241312e-10 6.128772e-10 6.029183e-10 5.939867999999999e-10 5.858906e-10 5.784865000000001e-10 5.716657e-10 5.653427e-10 5.594500000000001e-10 5.539325e-10 5.487455e-10 5.438515e-10 5.392192e-10 5.34822e-10 5.306372e-10 5.266453000000001e-10 5.228291e-10 5.19174e-10 5.166857000000001e-10 5.140668e-10 5.113029e-10 5.083771e-10 5.052691000000001e-10 5.019547000000001e-10 4.984046000000001e-10 4.945826000000001e-10 4.904437e-10 4.859305000000001e-10 4.809684000000001e-10 4.754583e-10 4.692638e-10 4.621906e-10 4.5394750000000005e-10 4.440693e-10 4.317425e-10 4.1533900000000003e-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" [ 0.496893 0.675076 0.8254 0.973974 1.12755 1.28261 1.4335 1.57582 1.70697 1.82582 1.9322 2.02647 2.10929 2.18181 2.27752 2.33926 2.38504 2.42299 2.4538 2.47803 2.49617 2.50867 2.51591 2.51825 2.51713 2.51346 2.50669 2.49614 2.48095 2.45999 2.43179 2.39442 2.34523 2.28057 2.19898 2.10196 1.94869 1.73545 1.43181 0.978979 0.255077 -1.04077 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.961103476391744e-20 1.0815909844631809e-19 1.32243658280832e-19 1.5604783720670593e-19 1.80653424878304e-19 2.0549677556042882e-19 2.2967201859168003e-19 2.5247419625890563e-19 2.7348674264069764e-19 2.925286117789056e-19 3.09572566670976e-19 3.2467628567525764e-19 3.3794551244872326e-19 3.495644973027648e-19 3.648989297404416e-19 3.747907681972608e-19 3.821255327672832e-19 3.882057930432192e-19 3.9314209921190406e-19 3.9702417316410244e-19 3.9993052155423364e-19 4.019332423302336e-19 4.030932182036928e-19 4.0346812753296e-19 4.032886837514304e-19 4.027006849315968e-19 4.016160113593152e-19 3.9992571502437124e-19 3.97492008737376e-19 3.941338465401792e-19 3.896157084695232e-19 3.8362837443759363e-19 3.757472676398784e-19 3.6538759360978564e-19 3.5231543456067843e-19 3.3677111698567683e-19 3.1221455591867525e-19 2.78049741656736e-19 2.294012507427648e-19 1.5684972660541635e-19 4.086784059038016e-20 -1.6674973616300161e-19 ] } }