{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 5.17869 4.831699 4.616647 4.460401 4.33761 4.236445 4.150416 4.075578 4.009352 3.949959 3.896119 3.846883 3.801525 3.759478 3.720291 3.683601 3.649108 3.616563 3.585759 3.556518 3.528689 3.502143 3.476766 3.45246 3.435913 3.418498 3.400118 3.380662 3.359994 3.337954 3.314346 3.28893 3.261407 3.231395 3.198397 3.161756 3.120563 3.073528 3.018712 2.953023 2.871052 2.76197 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.17869e-10 4.831699000000001e-10 4.6166470000000004e-10 4.460401e-10 4.3376099999999997e-10 4.236445e-10 4.150416e-10 4.075578e-10 4.009352e-10 3.949959e-10 3.8961190000000005e-10 3.846883e-10 3.801525e-10 3.759478e-10 3.7202910000000003e-10 3.683601e-10 3.6491080000000003e-10 3.6165630000000003e-10 3.585759e-10 3.556518e-10 3.528689e-10 3.502143e-10 3.4767660000000004e-10 3.45246e-10 3.4359130000000005e-10 3.418498e-10 3.400118e-10 3.3806620000000003e-10 3.359994e-10 3.337954e-10 3.3143460000000003e-10 3.28893e-10 3.2614070000000004e-10 3.2313950000000003e-10 3.198397e-10 3.1617560000000003e-10 3.120563e-10 3.073528e-10 3.018712e-10 2.953023e-10 2.871052e-10 2.76197e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.00847 1.43843 1.83457 2.27384 2.6201 2.88192 3.09539 3.28113 3.45337 3.61614 3.76471 3.89395 4.00289 4.09332 4.16792 4.23013 4.28376 4.33195 4.37637 4.41684 4.45169 4.47861 4.49556 4.50134 4.49846 4.48894 4.4713 4.44391 4.40486 4.35186 4.28208 4.19175 4.07549 3.92523 3.72834 3.46532 3.10824 2.62262 1.95645 0.964486 -0.776866 -4.21938 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.615747056778176e-19 2.3046189166573445e-19 2.9393051632210564e-19 3.643093287439872e-19 4.19786296415808e-19 4.617344847015936e-19 4.959361490258113e-19 5.256949775805504e-19 5.532908676972096e-19 5.793694965539712e-19 6.031730346091968e-19 6.23879565256416e-19 6.413336773634112e-19 6.558221605453057e-19 6.677743981364736e-19 6.777415388944704e-19 6.863340121118208e-19 6.94054901247456e-19 7.011717697970496e-19 7.076557785814272e-19 7.132393641049152e-19 7.175524235681088e-19 7.202681129403649e-19 7.211941710271872e-19 7.207327441603968e-19 7.192074720173953e-19 7.163812324583041e-19 7.119928706939328e-19 7.057363709897089e-19 6.972448348994689e-19 6.860648464395264e-19 6.7159238502384e-19 6.529654796304193e-19 6.288911737262784e-19 5.973459182393473e-19 5.552054687590657e-19 4.979949459835392e-19 4.2019004492424964e-19 3.1345784497641604e-19 1.545276920288909e-19 -1.2446765426944128e-19 -6.7601919902711045e-19 ] } }