{ "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" [ 7.78573 7.264058 6.940747 6.705844 6.521238 6.369144 6.239807 6.127295 6.027729 5.938437 5.857494 5.783471 5.715279 5.652065 5.593152 5.537991 5.486133 5.437205 5.390893 5.346932 5.305094 5.265184 5.227032 5.19049 5.153547 5.115477 5.076209 5.035666 4.993761 4.9504 4.905478 4.858879 4.810472 4.760111 4.707633 4.652851 4.595553 4.535498 4.472406 4.405954 4.335764 4.26139 4.182301 4.09786 4.007288 3.909625 3.803666 3.68787 3.560221 3.418012 3.257491 3.073234 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.785730000000001e-10 7.264058000000001e-10 6.940747e-10 6.705844e-10 6.521238000000001e-10 6.369144000000001e-10 6.239807e-10 6.127295000000001e-10 6.027729e-10 5.938437e-10 5.857494e-10 5.783471e-10 5.715279e-10 5.652065000000001e-10 5.593152e-10 5.537991e-10 5.486132999999999e-10 5.437205e-10 5.390893e-10 5.346932e-10 5.305094000000001e-10 5.265184e-10 5.227032000000001e-10 5.19049e-10 5.153547e-10 5.115477e-10 5.076209e-10 5.035666e-10 4.993761e-10 4.950400000000001e-10 4.905477999999999e-10 4.858879e-10 4.810472e-10 4.760111e-10 4.707633000000001e-10 4.6528510000000004e-10 4.595553e-10 4.535498e-10 4.4724060000000003e-10 4.4059540000000004e-10 4.3357640000000006e-10 4.26139e-10 4.182301e-10 4.09786e-10 4.007288e-10 3.9096250000000003e-10 3.8036660000000005e-10 3.6878700000000005e-10 3.5602209999999997e-10 3.418012e-10 3.257491e-10 3.073234e-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" [ 0.646738 0.869567 1.03869 1.18756 1.33271 1.47909 1.61883 1.74256 1.84742 1.93535 2.00965 2.07335 2.12885 2.17794 2.22188 2.26143 2.29694 2.32837 2.3555 2.37801 2.39562 2.40817 2.41563 2.41808 2.41542 2.40682 2.39127 2.36762 2.33451 2.29036 2.2333 2.16121 2.07178 1.96249 1.83071 1.67387 1.48974 1.2742 1.01962 0.717193 0.354788 -0.0839664 -0.621376 -1.28962 -2.13702 -3.23186 -4.66246 -6.54871 -9.0986 -12.7166 -18.1445 -26.7404 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.036188511919892e-19 1.3931999290974778e-19 1.6641648479694598e-19 1.9026808834730398e-19 2.13523682189814e-19 2.3697634375830597e-19 2.5936516004182197e-19 2.79188891534304e-19 2.95989315718428e-19 3.1007725486118996e-19 3.2198142725181e-19 3.3218729241038996e-19 3.4107937272908994e-19 3.48944457825396e-19 3.55984421955192e-19 3.6232103054266195e-19 3.68010359769996e-19 3.7304600093065797e-19 3.773927061387e-19 3.80999205741834e-19 3.83820638794308e-19 3.85831370469978e-19 3.87026594238942e-19 3.8741912751427194e-19 3.86992948529628e-19 3.85615076624388e-19 3.83123691958518e-19 3.7933454421910798e-19 3.7402973738393394e-19 3.66956127544824e-19 3.5781410767121997e-19 3.4626401631671397e-19 3.3193575067885195e-19 3.14425562245866e-19 2.9331207856301397e-19 2.6818354023535797e-19 2.38682661873516e-19 2.0414934670428e-19 1.6336113395590797e-19 1.149069866668362e-19 5.684330436235919e-20 -1.3452900412109759e-20 -9.95554108128384e-20 -2.0661990307390798e-19 -3.42388351039068e-19 -5.17801057635924e-19 -7.47008446895964e-19 -1.049219014484214e-18 -1.4577564322112398e-18 -2.03742393839244e-18 -2.9070693935613e-18 -4.28428440638136e-18 ] } }