{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.44701 5.08204 4.855847 4.691505 4.562352 4.455945 4.365458 4.286743 4.217086 4.154615 4.097986 4.046199 3.998491 3.954265 3.913048 3.874457 3.838177 3.803946 3.771545 3.740789 3.711519 3.683597 3.656906 3.63134 3.605494 3.57886 3.551388 3.523023 3.493706 3.46337 3.431942 3.399341 3.365474 3.330242 3.293527 3.255201 3.215115 3.173099 3.128959 3.082469 3.033363 2.98133 2.925998 2.866922 2.803557 2.735231 2.661101 2.580088 2.490783 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.44701e-10 5.08204e-10 4.855847e-10 4.691505e-10 4.562352e-10 4.455945e-10 4.3654580000000006e-10 4.2867430000000006e-10 4.217086e-10 4.154615e-10 4.097986e-10 4.0461989999999996e-10 3.998491e-10 3.954265e-10 3.913048e-10 3.874457e-10 3.838177e-10 3.803946e-10 3.771545e-10 3.7407890000000003e-10 3.711519e-10 3.683597e-10 3.6569060000000004e-10 3.63134e-10 3.6054940000000003e-10 3.57886e-10 3.5513880000000006e-10 3.5230229999999997e-10 3.493706e-10 3.46337e-10 3.431942e-10 3.3993410000000005e-10 3.365474e-10 3.3302420000000005e-10 3.2935270000000004e-10 3.255201e-10 3.215115e-10 3.1730990000000003e-10 3.128959e-10 3.0824690000000004e-10 3.033363e-10 2.98133e-10 2.925998e-10 2.8669220000000005e-10 2.8035570000000003e-10 2.735231e-10 2.661101e-10 2.580088e-10 2.490783e-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" [ 0.146727 0.999548 1.92883 2.75504 3.45367 4.03798 4.52912 4.94821 5.31513 5.65014 5.97289 6.30174 6.64901 7.00965 7.35723 7.66344 7.91853 8.12621 8.29334 8.42669 8.52047 8.59649 8.65834 8.72211 8.56779 8.3916 8.20398 8.00607 7.79934 7.58254 7.35069 7.09732 6.81769 6.50822 6.16338 5.77496 5.33767 4.84833 4.30033 3.67583 2.95021 2.13186 1.26234 0.316409 -0.798884 -2.17182 -3.88748 -6.07661 -8.82452 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.3508257097691798e-20 1.6014524501614318e-19 3.0903263569582197e-19 4.41406071373536e-19 5.53338937554678e-19 6.469557204559319e-19 7.256450236582079e-19 7.927906442125141e-19 8.515777092672419e-19 9.05252228682876e-19 9.56962479545226e-19 1.0096500581543158e-18 1.065288846123234e-18 1.12306974425181e-18 1.178758199696382e-18 1.227818450406096e-18 1.2686883741628018e-18 1.3019623784977139e-18 1.328739556581756e-18 1.3501045819961461e-18 1.3651297944697978e-18 1.3773095412414657e-18 1.3872190037227561e-18 1.397436084117774e-18 1.372711294301886e-18 1.34448254418744e-18 1.3144225061803318e-18 1.2827138284168378e-18 1.2495920308621558e-18 1.214856841437036e-18 1.1777103761777459e-18 1.137116026802088e-18 1.092314361585546e-18 1.042731801293148e-18 9.87482342246292e-19 9.25250597428464e-19 8.551890154002779e-19 7.767881039921219e-19 6.889888244489219e-19 5.889328936556219e-19 4.72675752739314e-19 3.41561627895924e-19 2.0224916521635598e-19 5.0694310658730596e-20 -1.279953278076456e-19 -3.4796392572538796e-19 -6.22842962114232e-19 -9.735802555930739e-19 -1.413843975026568e-18 ] } }