{ "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" [ "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" ] } "a" { "source-value" [ 10.2588 9.571429 9.145423 8.835908 8.592666 8.392262 8.221843 8.073593 7.942403 7.824748 7.718095 7.620561 7.530709 7.447416 7.36979 7.297108 7.228779 7.16431 7.103288 7.045363 6.990236 6.93765 6.887379 6.83923 6.80645 6.771951 6.735542 6.696999 6.656056 6.612395 6.565628 6.515281 6.460757 6.401303 6.335936 6.263349 6.181748 6.088571 5.979982 5.849853 5.687469 5.47138 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.0258800000000002e-09 9.571429e-10 9.145422999999999e-10 8.835908e-10 8.592666e-10 8.392262e-10 8.221843e-10 8.073593000000001e-10 7.942403e-10 7.824748e-10 7.718095e-10 7.620561000000001e-10 7.530709e-10 7.447415999999999e-10 7.369790000000001e-10 7.297108e-10 7.228779e-10 7.164310000000001e-10 7.103288e-10 7.045363e-10 6.990236e-10 6.93765e-10 6.887379e-10 6.83923e-10 6.80645e-10 6.771951e-10 6.735542e-10 6.696999e-10 6.656056000000001e-10 6.612395e-10 6.565628e-10 6.515281e-10 6.460757000000001e-10 6.401303e-10 6.335936000000001e-10 6.263349e-10 6.181748e-10 6.088571e-10 5.979981999999999e-10 5.849853e-10 5.687469000000001e-10 5.47138e-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" [ 0.00154932 0.00232259 0.00300272 0.00362486 0.00420753 0.00475255 0.00526743 0.00575143 0.00620607 0.00663225 0.00703048 0.00740227 0.00774648 0.00806281 0.00835099 0.00861297 0.00884604 0.00904972 0.0092235 0.00936679 0.009479 0.00955951 0.00960787 0.00962461 0.00961618 0.00958782 0.00953382 0.00944666 0.00931626 0.0091295 0.00886694 0.00850163 0.00799473 0.00728857 0.00629462 0.004872 0.00278465 -0.000387456 -0.00544836 -0.0141215 -0.0306531 -0.0682955 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.482284282137856e-22 3.721199397703872e-22 4.810887782808576e-22 5.8076659456730885e-22 6.741206197314625e-22 7.614424499183041e-22 8.439353197700545e-22 9.214806682167745e-22 9.943220261048257e-22 1.0626035893300801e-21 1.1264070689001985e-21 1.1859743934849216e-21 1.2411229149494786e-21 1.291804567995245e-21 1.3379760938534593e-21 1.3799499169651775e-21 1.4172918474661632e-21 1.4499249808786177e-21 1.4777676061948802e-21 1.5007251949943232e-21 1.51870321885632e-21 1.5316023428303808e-21 1.5393504689685695e-21 1.542032512631789e-21 1.5406818777404546e-21 1.5361381048438658e-21 1.5274863510915458e-21 1.513521779664653e-21 1.4926293965294208e-21 1.4627071459593602e-21 1.4206403966036354e-21 1.3621112824691905e-21 1.2808969495608384e-21 1.1677576453064258e-21 1.0085093000820097e-21 7.805804496537599e-22 4.461501127110721e-22 -6.207729447886848e-23 -8.72923501370189e-22 -2.2625137150627204e-21 -4.911168017504448e-21 -1.094214534058464e-20 ] } }