{ "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" [ "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" [ 6.03816 5.633581 5.382839 5.200662 5.057492 4.939537 4.83923 4.751972 4.674755 4.605505 4.54273 4.485323 4.432436 4.383411 4.337722 4.294942 4.254724 4.216778 4.180861 4.146768 4.114321 4.083369 4.05378 4.02544 4.006147 3.985841 3.964411 3.941726 3.917628 3.891929 3.864403 3.83477 3.802678 3.767685 3.729211 3.686488 3.638459 3.583617 3.519703 3.443112 3.347536 3.22035 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.038160000000001e-10 5.633581e-10 5.382839e-10 5.200662000000001e-10 5.057492e-10 4.939537e-10 4.839229999999999e-10 4.751972e-10 4.674755e-10 4.6055050000000003e-10 4.54273e-10 4.485323e-10 4.432436e-10 4.383411e-10 4.337722e-10 4.294942e-10 4.2547240000000007e-10 4.216778e-10 4.1808610000000005e-10 4.1467679999999997e-10 4.1143210000000004e-10 4.0833690000000005e-10 4.05378e-10 4.0254399999999997e-10 4.006147e-10 3.9858410000000005e-10 3.964411e-10 3.941726e-10 3.917628e-10 3.891929e-10 3.864403e-10 3.83477e-10 3.802678e-10 3.767685e-10 3.729211e-10 3.6864880000000005e-10 3.6384590000000003e-10 3.583617e-10 3.519703e-10 3.4431120000000004e-10 3.347536e-10 3.22035e-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" [ -0.116374 -0.206176 -0.245686 -0.213438 -0.113492 0.0365268 0.217058 0.417096 0.618045 0.815135 1.00414 1.18365 1.3529 1.50932 1.65402 1.78811 1.9114 2.0233 2.12309 2.21004 2.28361 2.34373 2.39287 2.43019 2.39347 2.32873 2.26317 2.19307 2.11621 2.03121 1.93655 1.83028 1.70988 1.57205 1.41223 1.22408 0.998329 0.720794 0.367945 -0.0983449 -0.771283 -1.89946 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -1.864517020689792e-20 -3.303303669700608e-20 -3.936323652578688e-20 -3.419653735903104e-20 -1.818342290478336e-20 5.852238499263744e-21 3.477652529576064e-20 6.682614598291969e-20 9.90217249602336e-20 1.3059902397958082e-19 1.6088096320101122e-19 1.8964163572099202e-19 2.1675847502803201e-19 2.418197217305856e-19 2.6500321743356165e-19 2.8648680374186883e-19 3.06240039299712e-19 3.24168395686464e-19 3.401565161854272e-19 3.5408744190328317e-19 3.6587465530250883e-19 3.755069411467584e-19 3.833800370613696e-19 3.893593602101952e-19 3.8347616765861764e-19 3.7310367621555847e-19 3.625998062895936e-19 3.513685481777856e-19 3.3905421867031686e-19 3.2543571739351685e-19 3.10269513501024e-19 2.932431825517824e-19 2.739529760373504e-19 2.51870175672864e-19 2.2626418891923844e-19 1.9611923579888643e-19 1.5994993836666433e-19 1.1548392952129154e-19 5.895128767402561e-20 -1.5756589955491392e-20 -1.2357315906204865e-19 -3.043270404144768e-19 ] } }