{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 8.96414 8.363509 7.991262 7.720804 7.508257 7.333143 7.184229 7.054687 6.940052 6.837244 6.74405 6.658824 6.58031 6.507528 6.439698 6.376188 6.316481 6.260147 6.206826 6.156211 6.108041 6.06209 6.018163 5.97609 5.947447 5.917302 5.885488 5.851809 5.816034 5.777883 5.737018 5.693025 5.645383 5.593432 5.536314 5.472889 5.401586 5.320168 5.225284 5.111577 4.969687 4.78087 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.96414e-10 8.363509000000001e-10 7.991262e-10 7.720804e-10 7.508257000000001e-10 7.333143e-10 7.184229000000001e-10 7.054687e-10 6.940052e-10 6.837244e-10 6.74405e-10 6.658824e-10 6.580310000000001e-10 6.507528e-10 6.439698e-10 6.376188e-10 6.316481e-10 6.260147e-10 6.206826000000001e-10 6.156211e-10 6.108041000000001e-10 6.062090000000001e-10 6.018163000000001e-10 5.976090000000001e-10 5.947447000000001e-10 5.917302e-10 5.885488e-10 5.851809e-10 5.816034e-10 5.777883e-10 5.737018e-10 5.693025e-10 5.645383e-10 5.593432e-10 5.536314e-10 5.472889e-10 5.401586e-10 5.320168e-10 5.225284000000001e-10 5.111577e-10 4.969687000000001e-10 4.78087e-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" [ 0.0606028 0.404369 1.0271 1.64824 2.13402 2.49318 2.76128 2.96715 3.13049 3.26417 3.37637 3.47223 3.555 3.62675 3.68889 3.74239 3.78799 3.82625 3.85766 3.88262 3.9015 3.91461 3.92228 3.92478 3.92357 3.91962 3.91231 3.90088 3.88436 3.86152 3.83077 3.79004 3.73655 3.66664 3.57526 3.45552 3.29782 3.08896 2.81154 2.44359 1.92279 0.968029 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.709638931501824e-21 6.478705579762752e-20 1.6455956072236799e-19 2.640771593467392e-19 3.419076952319616e-19 3.9945147074461446e-19 4.424058259482625e-19 4.753898360406721e-19 5.015597889648192e-19 5.2297768603167365e-19 5.409541077170496e-19 5.563125728040385e-19 5.695737886944e-19 5.8106940594864e-19 5.910253314702912e-19 5.995969763915712e-19 6.069029017824192e-19 6.130328295336e-19 6.180652662995328e-19 6.220642991450496e-19 6.250892086051201e-19 6.271896621549889e-19 6.284185316231425e-19 6.288190757783425e-19 6.286252124072256e-19 6.279923526420097e-19 6.268211615322049e-19 6.249898736546304e-19 6.223430778770688e-19 6.186837064751616e-19 6.137570133662016e-19 6.072313479896832e-19 5.98661305245024e-19 5.874604884890113e-19 5.728197985281408e-19 5.536353356706816e-19 5.283690103606656e-19 4.949059494586369e-19 4.504583656444032e-19 3.915062768820672e-19 3.080649184708032e-19 1.5509534320564034e-19 ] } }