{ "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" [ "At" "At" "At" "At" "At" "At" "At" "At" ] } "a" { "source-value" [ 10.0069 9.336397 8.920847 8.618927 8.381655 8.186169 8.019932 7.875321 7.74735 7.632582 7.528547 7.433406 7.345759 7.26451 7.188789 7.117891 7.051239 6.988352 6.928827 6.872324 6.818551 6.767254 6.718218 6.67125 6.623768 6.574837 6.524367 6.472257 6.418398 6.362666 6.304929 6.245036 6.182819 6.118092 6.050642 5.980232 5.906588 5.8294 5.748309 5.6629 5.572685 5.477094 5.375443 5.266912 5.150501 5.024977 4.88879 4.739958 4.575893 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.00069e-09 9.336397e-10 8.920847e-10 8.618926999999999e-10 8.381655e-10 8.186169e-10 8.019932000000001e-10 7.875321e-10 7.74735e-10 7.632582000000001e-10 7.528547e-10 7.433406e-10 7.345759e-10 7.26451e-10 7.188789e-10 7.117891e-10 7.051239e-10 6.988352000000001e-10 6.928827e-10 6.872324000000001e-10 6.818551000000001e-10 6.767254000000001e-10 6.718218e-10 6.67125e-10 6.623768000000001e-10 6.574837e-10 6.524367e-10 6.472257e-10 6.418398e-10 6.362666e-10 6.304929e-10 6.245036e-10 6.182819e-10 6.118092e-10 6.050642e-10 5.980232000000001e-10 5.906588e-10 5.8294e-10 5.748309e-10 5.6629e-10 5.572685e-10 5.477094000000001e-10 5.375443e-10 5.266911999999999e-10 5.150501e-10 5.024977e-10 4.888790000000001e-10 4.739958e-10 4.575893e-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" [ 0.693157 1.039 1.34296 1.62155 1.88195 2.12588 2.356 2.57231 2.7755 2.96597 3.14415 3.31038 3.46422 3.60559 3.73493 3.85202 3.95619 4.04722 4.12488 4.18893 4.23908 4.27506 4.29722 4.30471 4.29626 4.26803 4.21478 4.13028 4.00577 3.83041 3.59019 3.26684 2.83636 2.26715 1.51623 0.525607 -0.783634 -2.52392 -4.85335 -7.99834 -12.2956 -18.2505 -26.6499 -38.7447 -56.6002 -83.7667 -126.642 -197.452 -321.215 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.110559949093538e-19 1.6646615227259998e-19 2.1516591323966397e-19 2.5980095208627e-19 3.0152163163562997e-19 3.40603526268792e-19 3.7747281497039997e-19 4.1212949774045397e-19 4.446841247667e-19 4.75200783114498e-19 5.0374836637911e-19 5.303813485660919e-19 5.550292339035479e-19 5.77679204978406e-19 5.98401757562562e-19 6.171616437700679e-19 6.338515177664459e-19 6.48436131665748e-19 6.60878635405392e-19 6.711405767461619e-19 6.79175492565672e-19 6.849401240948039e-19 6.88490547515748e-19 6.896905778146139e-19 6.88336738558884e-19 6.83813793921102e-19 6.75282203345052e-19 6.61743810787752e-19 6.41795109517818e-19 6.13699340063994e-19 5.75211852962046e-19 5.23405471501656e-19 4.54434971761224e-19 3.6323747557730997e-19 2.42926827776982e-19 8.42115254066838e-20 -1.255520084407956e-19 -4.0437656500852796e-19 -7.7759239666239e-19 -1.281475345878756e-18 -1.96997230210104e-18 -2.9240524658816998e-18 -4.2697847078436595e-18 -6.2075853031339796e-18 -9.068351791972679e-18 -1.342090494472878e-17 -2.0290285328302798e-17 -3.16352980736568e-17 -5.1464316749030994e-17 ] } }