{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.01498 7.477947 7.145115 6.903295 6.713254 6.556681 6.423535 6.30771 6.205213 6.113291 6.029964 5.953762 5.883562 5.818487 5.757839 5.701054 5.647669 5.5973 5.549624 5.504369 5.461299 5.420214 5.380938 5.34332 5.305289 5.266099 5.225675 5.183938 5.140799 5.096161 5.049917 5.001945 4.952113 4.90027 4.846247 4.789851 4.730867 4.669043 4.604094 4.535686 4.463429 4.386865 4.305448 4.21852 4.125282 4.024744 3.915665 3.79646 3.665052 3.518657 3.35341 3.163727 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.01498e-10 7.477947000000001e-10 7.145115e-10 6.903295e-10 6.713254000000001e-10 6.556681000000001e-10 6.423535e-10 6.30771e-10 6.205212999999999e-10 6.113291e-10 6.029964e-10 5.953762e-10 5.883562000000001e-10 5.818487e-10 5.757839e-10 5.701054e-10 5.647668999999999e-10 5.5973e-10 5.549624e-10 5.504369e-10 5.461299e-10 5.420214e-10 5.380938e-10 5.343320000000001e-10 5.305289e-10 5.266099e-10 5.225675e-10 5.183938000000001e-10 5.140799e-10 5.096161e-10 5.049917e-10 5.001945e-10 4.952113e-10 4.90027e-10 4.846247e-10 4.789851e-10 4.730867e-10 4.669043e-10 4.6040940000000003e-10 4.5356860000000004e-10 4.463429e-10 4.3868650000000003e-10 4.305448e-10 4.21852e-10 4.1252820000000007e-10 4.024744e-10 3.9156650000000005e-10 3.7964600000000005e-10 3.6650520000000003e-10 3.518657e-10 3.35341e-10 3.1637270000000005e-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" [ 0.761919 1.0623 1.27929 1.45364 1.60005 1.72335 1.82885 1.92 1.99925 2.0684 2.12883 2.18231 2.23166 2.27495 2.31277 2.34562 2.3739 2.39797 2.41814 2.43467 2.44781 2.45758 2.46214 2.46351 2.46202 2.45724 2.44857 2.43532 2.41667 2.39161 2.35896 2.31726 2.26475 2.20017 2.12011 2.02124 1.8994 1.7494 1.56457 1.33478 1.05209 0.700218 0.259695 -0.295783 -1.00189 -1.82727 -2.71895 -3.70645 -4.825 -6.1573 -7.85751 -10.2765 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.220728818800646e-19 1.7019922382982e-19 2.04964854610986e-19 2.32898804224776e-19 2.5635627232317e-19 2.7611111022039e-19 2.9301407370909e-19 3.0761791372799995e-19 3.2031516355244997e-19 3.3139421497656e-19 3.4107616837582195e-19 3.49644609014454e-19 3.57551350703244e-19 3.6448717335183e-19 3.70546605381618e-19 3.7580975562430796e-19 3.8034071114525994e-19 3.8419715030329796e-19 3.87428740574076e-19 3.90077138550078e-19 3.9218239864715397e-19 3.9374772521857197e-19 3.94478317763676e-19 3.9469781596253394e-19 3.9445909164406796e-19 3.93693251213016e-19 3.9230416407133797e-19 3.9018128003128794e-19 3.8719322060887796e-19 3.8317816596407395e-19 3.77947059254064e-19 3.71265982690284e-19 3.6285295318514996e-19 3.52506096482778e-19 3.3967907035097395e-19 3.23838349970616e-19 3.0431742986195997e-19 2.8028478035196e-19 2.50671749625738e-19 2.13855332753052e-19 1.6856340148650598e-19 1.121872918306212e-19 4.1607726096662997e-20 -4.7389661133442197e-20 -1.6052047478382598e-19 -2.9276092980091796e-19 -4.3562381590143e-19 -5.938387585089299e-19 -7.730502259049999e-19 -9.865082188528199e-19 -1.258911892342134e-18 -1.6464768179300999e-18 ] } }