{ "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" [ 7.961103541981619e-20 1.0815909933741839e-19 1.3224365937036e-19 1.560478384923516e-19 1.8065342636666999e-19 2.05496777253474e-19 2.296720204839e-19 2.5247419833898797e-19 2.73486744893898e-19 2.92528614188988e-19 3.0957256922148e-19 3.24676288350198e-19 3.37945515232986e-19 3.49564500182754e-19 3.64898932746768e-19 3.7479077128508395e-19 3.82125535915536e-19 3.88205796241566e-19 3.9314210245092e-19 3.9702417643510195e-19 3.99930524849178e-19 4.0193324564167798e-19 4.0309322152469395e-19 4.0346813085705e-19 4.0328868707404197e-19 4.027006882493639e-19 4.0161601466814596e-19 3.9992571831927597e-19 3.9749201201223e-19 3.94133849787366e-19 3.8961571167948594e-19 3.83628377598228e-19 3.7574727073558194e-19 3.65387596620138e-19 3.52315437463332e-19 3.36771119760264e-19 3.12214558490946e-19 2.7804974394752996e-19 2.29401252632754e-19 1.568497278976686e-19 4.08678409270818e-20 -1.6674973753681798e-19 ] } }