{ "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" [ "P" "P" "P" "P" "P" "P" "P" "P" ] } "a" { "source-value" [ 7.13822 6.659932 6.363509 6.148141 5.978888 5.839443 5.720862 5.617706 5.526421 5.444555 5.370343 5.302477 5.239956 5.181999 5.127985 5.077412 5.029866 4.985007 4.942547 4.902242 4.863883 4.827293 4.792313 4.75881 4.736002 4.711997 4.686663 4.659845 4.631356 4.600977 4.568436 4.533404 4.495466 4.454097 4.408614 4.358108 4.301329 4.236496 4.160939 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.138219999999999e-10 6.659932000000001e-10 6.363509e-10 6.148141e-10 5.978888e-10 5.839443000000001e-10 5.720862000000001e-10 5.617706e-10 5.526421e-10 5.444555e-10 5.370343e-10 5.302477e-10 5.239956000000001e-10 5.181999e-10 5.127985e-10 5.077412e-10 5.029866e-10 4.985007000000001e-10 4.942547000000001e-10 4.902242000000001e-10 4.863883000000001e-10 4.827293e-10 4.792313e-10 4.75881e-10 4.736002000000001e-10 4.711997e-10 4.686663000000001e-10 4.659845e-10 4.6313560000000006e-10 4.6009770000000004e-10 4.5684360000000006e-10 4.5334040000000003e-10 4.4954660000000007e-10 4.454097e-10 4.408614e-10 4.3581079999999996e-10 4.301329e-10 4.236496e-10 4.160939e-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" [ 2.51686 3.77263 4.8763 5.88784 6.83334 7.71905 8.5546 9.34002 10.0778 10.7694 11.4163 12.0199 12.5785 13.0918 13.5614 13.9866 14.3648 14.6954 14.9773 15.2099 15.392 15.5226 15.6031 15.6303 15.6166 15.5706 15.4829 15.3415 15.1307 14.8279 14.4018 13.809 12.9865 11.8406 10.2277 7.91995 4.53281 -0.61256 -8.82484 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.032454249826688e-19 6.044419584928705e-19 7.812693856007039e-19 9.433359595011071e-19 1.0948217589977472e-18 1.236728144478624e-18 1.3705980120295682e-18 1.4964361681804418e-18 1.614641554909824e-18 1.725448090004352e-18 1.829092895603904e-18 1.925800276435392e-18 2.0152978624732802e-18 2.097537588418944e-18 2.172775802531712e-18 2.240900352448128e-18 2.301494672246784e-18 2.354462631330432e-18 2.399627990270784e-18 2.436894618470592e-18 2.46607025473536e-18 2.4869946814030082e-18 2.499892203200448e-18 2.504250123609024e-18 2.502055141638528e-18 2.4946851291828483e-18 2.4806340402184324e-18 2.45797926280032e-18 2.424205379633856e-18 2.3756914715560322e-18 2.307422725743744e-18 2.21244569566272e-18 2.08066666860192e-18 1.897073249624448e-18 1.6386581824556161e-18 1.2689158727904961e-18 7.262362208528447e-19 -9.81429310837248e-20 -1.4138952330300672e-18 ] } }