{ "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" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" ] } "a" { "source-value" [ 13.7476 12.826459 12.255572 11.840793 11.514826 11.246267 11.01789 10.819221 10.643414 10.485745 10.34282 10.212116 10.091705 9.980085 9.876059 9.778659 9.687091 9.600697 9.518922 9.441297 9.367423 9.296952 9.229585 9.16506 9.121133 9.074902 9.026111 8.974461 8.919595 8.861086 8.798416 8.730946 8.657881 8.578209 8.490613 8.393342 8.28399 8.159127 8.01361 7.839229 7.621624 7.33205 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.3747600000000001e-09 1.2826459e-09 1.2255572000000002e-09 1.1840793e-09 1.1514826e-09 1.1246267e-09 1.101789e-09 1.0819221000000002e-09 1.0643414e-09 1.0485745e-09 1.034282e-09 1.0212116000000001e-09 1.0091704999999999e-09 9.980085e-10 9.876059e-10 9.778659e-10 9.687091000000002e-10 9.600697e-10 9.518922e-10 9.441297e-10 9.367423000000001e-10 9.296951999999999e-10 9.229585e-10 9.16506e-10 9.121133000000001e-10 9.074902e-10 9.026111000000001e-10 8.974461e-10 8.919594999999999e-10 8.861086e-10 8.798416e-10 8.730945999999999e-10 8.657881e-10 8.578208999999999e-10 8.490613e-10 8.393342e-10 8.283989999999999e-10 8.159127e-10 8.01361e-10 7.839229e-10 7.621624e-10 7.33205e-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" [ 0.274815 0.36276 0.425523 0.475613 0.51627 0.550057 0.5801 0.605823 0.627945 0.646992 0.663371 0.677396 0.689324 0.699889 0.70992 0.718422 0.725517 0.731309 0.735889 0.73934 0.742551 0.74478 0.746081 0.746505 0.7463 0.745626 0.744378 0.74242 0.73958 0.735634 0.730287 0.723141 0.713782 0.701929 0.686021 0.664478 0.635006 0.595782 0.538432 0.450442 0.308035 0.0468947 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.40302168045152e-20 5.81205590961408e-20 6.817630022126785e-20 7.620160291485504e-20 8.27155724020416e-20 8.812884655073857e-20 9.2942265772608e-20 9.706354469429184e-20 1.006078798148256e-19 1.0365954562446337e-19 1.062837507116717e-19 1.0853080342234368e-19 1.1044187969563395e-19 1.1213457929550911e-19 1.1374172266383361e-19 1.1510389322683777e-19 1.1624063753929536e-19 1.1716861823806273e-19 1.1790241513038913e-19 1.1845532628222722e-19 1.189697851951661e-19 1.193269103639424e-19 1.195353535423085e-19 1.196032858310304e-19 1.19570441210304e-19 1.194624545060621e-19 1.1926250286378625e-19 1.189487966814336e-19 1.184937785211264e-19 1.1786155962655872e-19 1.1700487578741697e-19 1.158599603741933e-19 1.1436048327478657e-19 1.1246142332615233e-19 1.0991268075778368e-19 1.0646111166359425e-19 1.0173917672677248e-19 9.545479914934657e-20 8.626631622905857e-20 7.216876414263937e-20 4.9352647538812804e-20 7.513359197942977e-21 ] } }