{ "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" [ "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" [ 8.37073 7.809861 7.462257 7.209703 7.011227 6.847705 6.70865 6.587684 6.480638 6.384636 6.297611 6.218027 6.144711 6.076747 6.013407 5.954101 5.898347 5.845743 5.795951 5.748687 5.703705 5.660797 5.619778 5.58049 5.553743 5.525594 5.495886 5.464436 5.431029 5.395404 5.357244 5.316163 5.271674 5.223163 5.169826 5.110599 5.044016 4.967988 4.879385 4.773206 4.640708 4.46439 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.37073e-10 7.809861e-10 7.462257e-10 7.209703e-10 7.011227e-10 6.847705000000001e-10 6.708649999999999e-10 6.587684000000001e-10 6.480638e-10 6.384636000000001e-10 6.297611e-10 6.218027e-10 6.144711e-10 6.076747000000001e-10 6.013407e-10 5.954100999999999e-10 5.898347000000001e-10 5.845743e-10 5.795951e-10 5.748687000000001e-10 5.703705e-10 5.660797e-10 5.619778000000001e-10 5.58049e-10 5.553743e-10 5.525594e-10 5.495886e-10 5.464436e-10 5.431029e-10 5.395404e-10 5.357243999999999e-10 5.316163e-10 5.271674e-10 5.223163e-10 5.169826e-10 5.110599e-10 5.044016e-10 4.967988e-10 4.879385e-10 4.773206e-10 4.6407080000000003e-10 4.46439e-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" [ 0.658323 0.861084 1.01002 1.12978 1.22998 1.31572 1.39013 1.45526 1.51258 1.56317 1.60785 1.64729 1.682 1.71243 1.73892 1.7618 1.78132 1.79771 1.81117 1.82188 1.82998 1.83562 1.83892 1.84 1.83948 1.83776 1.83456 1.82955 1.82226 1.81212 1.79835 1.77991 1.75539 1.72277 1.67918 1.62035 1.53964 1.42626 1.26155 1.01037 0.59827 -0.163072 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0547497195349184e-19 1.3796086533449473e-19 1.618230430540416e-19 1.810107102647424e-19 1.9706452000515842e-19 2.1080158235189762e-19 2.227233785872704e-19 2.331583549185408e-19 2.4234203130896643e-19 2.504474428335936e-19 2.57605967975328e-19 2.639249525677632e-19 2.6948610761856e-19 2.743615310756544e-19 2.786056969441536e-19 2.82271477052544e-19 2.8539892581634563e-19 2.880248932978368e-19 2.901814230294336e-19 2.9189735419031043e-19 2.931951172531584e-19 2.9409874486728964e-19 2.9462746315215363e-19 2.9480049822720003e-19 2.947171850429184e-19 2.9444161066414083e-19 2.939289141454848e-19 2.93126223658464e-19 2.919582369019008e-19 2.903336298084096e-19 2.88127432601568e-19 2.851730189128128e-19 2.8124448183861124e-19 2.760181817015616e-19 2.690342938114944e-19 2.59608688751328e-19 2.466775212448512e-19 2.285120427182208e-19 2.02122591597024e-19 1.6187911923576962e-19 9.585342069260161e-20 -2.612701459070976e-20 ] } }