{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.86876 8.274521 7.906235 7.638656 7.428372 7.255121 7.107792 6.979629 6.866213 6.7645 6.672297 6.587978 6.5103 6.438292 6.371184 6.30835 6.249279 6.193544 6.14079 6.090714 6.043056 5.997595 5.954136 5.91251 5.870428 5.827063 5.782333 5.73615 5.688416 5.639023 5.587853 5.534772 5.479631 5.422266 5.362487 5.300085 5.234817 5.166408 5.09454 5.018845 4.938891 4.854172 4.764082 4.667895 4.564724 4.453477 4.332779 4.200875 4.05547 3.89348 3.710631 3.500743 3.25441 2.95626 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.86876e-10 8.274521e-10 7.906235e-10 7.638656e-10 7.428372e-10 7.255121000000001e-10 7.107792000000001e-10 6.979629e-10 6.866213000000001e-10 6.7645e-10 6.672297000000001e-10 6.587978e-10 6.5103e-10 6.438292e-10 6.371184000000001e-10 6.30835e-10 6.249279e-10 6.193544e-10 6.14079e-10 6.090714000000001e-10 6.043056e-10 5.997595e-10 5.954136e-10 5.91251e-10 5.870428e-10 5.827063e-10 5.782333000000001e-10 5.736150000000001e-10 5.688416000000001e-10 5.639023e-10 5.587853e-10 5.534772000000001e-10 5.479631000000001e-10 5.422265999999999e-10 5.362487e-10 5.300085000000001e-10 5.234817e-10 5.166408e-10 5.094540000000001e-10 5.018845e-10 4.938891e-10 4.854172e-10 4.764082000000001e-10 4.667894999999999e-10 4.564724e-10 4.4534770000000006e-10 4.3327790000000003e-10 4.200875e-10 4.05547e-10 3.89348e-10 3.710631e-10 3.500743e-10 3.25441e-10 2.95626e-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" [ 1.1017 1.37863 1.57182 1.72363 1.84917 1.95513 2.04558 2.12336 2.19061 2.24912 2.30031 2.34516 2.38439 2.41857 2.44818 2.47362 2.49524 2.51334 2.52815 2.5399 2.54878 2.55495 2.55856 2.55974 2.55847 2.55438 2.54694 2.53555 2.51948 2.49787 2.46967 2.43364 2.38821 2.33145 2.26099 2.17383 2.06622 1.93343 1.76934 1.56597 1.31261 0.994901 0.593183 0.0801585 -0.582704 -1.45108 -2.60881 -4.18571 -6.39216 -9.58697 -14.4199 -22.1664 -35.6164 -61.8987 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7651179976777998e-19 2.20880877293142e-19 2.5183332768538796e-19 2.76155971166142e-19 2.96269696629378e-19 3.13246360243242e-19 3.27738047897772e-19 3.4019977775702395e-19 3.50974415620674e-19 3.60348751106208e-19 3.68550293295654e-19 3.7573605549914394e-19 3.820213944343259e-19 3.8749763416933794e-19 3.9224167918261196e-19 3.96317616539508e-19 3.9978152242221597e-19 4.0268146212975595e-19 4.0505428572471e-19 4.0693684326965993e-19 4.0835957612065196e-19 4.0934811910382996e-19 4.0992650486870395e-19 4.10115561711516e-19 4.099120852789979e-19 4.0925679503569197e-19 4.08064775619996e-19 4.0623989643387e-19 4.03665198583032e-19 4.0020289487695793e-19 3.9568475676907794e-19 3.8991211435677595e-19 3.8263342590851396e-19 3.7353947133392994e-19 3.6225053477076597e-19 3.48285963228822e-19 3.3104494047034796e-19 3.09769636947462e-19 2.83479520560156e-19 2.50896054354498e-19 2.1030330715547398e-19 1.594007135343234e-19 9.50383942286022e-20 1.2842807571648899e-20 -9.33594733338336e-20 -2.32488647006472e-19 -4.1797744245455397e-19 -6.70624675870014e-19 -1.024136939278944e-18 -1.536001932485898e-18 -2.3103226844616598e-18 -3.5514488139897596e-18 -5.7063763867197595e-18 -9.91726508149758e-18 ] } }