{ "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" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" [ 9.45527 8.821731 8.429089 8.143814 7.919622 7.734913 7.577841 7.441202 7.320286 7.211845 7.113545 7.02365 6.940834 6.864065 6.792518 6.725529 6.662551 6.60313 6.546888 6.493499 6.44269 6.394222 6.347889 6.30351 6.273298 6.241502 6.207945 6.172421 6.134685 6.094444 6.051341 6.004937 5.954685 5.899888 5.839641 5.772741 5.697532 5.611653 5.511571 5.391635 5.241972 5.04281 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.45527e-10 8.821731e-10 8.429089e-10 8.143814000000001e-10 7.919622000000001e-10 7.734913e-10 7.577841e-10 7.441202e-10 7.320286000000001e-10 7.211845000000001e-10 7.113545e-10 7.02365e-10 6.940834e-10 6.864065e-10 6.792518000000001e-10 6.725529e-10 6.662551e-10 6.60313e-10 6.546888000000001e-10 6.493499e-10 6.44269e-10 6.394222e-10 6.347889000000001e-10 6.30351e-10 6.273298e-10 6.241502e-10 6.207945e-10 6.172421e-10 6.134685e-10 6.094444000000001e-10 6.051341e-10 6.004937e-10 5.954684999999999e-10 5.899888e-10 5.839641000000001e-10 5.772741e-10 5.697532e-10 5.611653e-10 5.511571e-10 5.391635e-10 5.241971999999999e-10 5.04281e-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" [ 0.953697 1.33954 1.63132 1.86708 2.06402 2.23182 2.37656 2.50243 2.61242 2.70881 2.79336 2.86744 2.93221 2.98858 3.03736 3.0792 3.11467 3.14428 3.16844 3.18754 3.20192 3.21188 3.21767 3.21956 3.21865 3.21567 3.21017 3.20155 3.1891 3.17185 3.14855 3.11754 3.07655 3.02243 2.95068 2.85467 2.72427 2.54324 2.28385 1.89483 1.2699 0.147424 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5279910367270977e-19 2.146179670626432e-19 2.6136627650434564e-19 2.9913919251632643e-19 3.3069245888636165e-19 3.575769825833856e-19 3.8076688699284484e-19 4.009334841188544e-19 4.1855582477103364e-19 4.339992052189249e-19 4.475456085477888e-19 4.594145329546753e-19 4.6979183092759685e-19 4.7882330053904635e-19 4.866387180953088e-19 4.933422250767361e-19 4.990251455507136e-19 5.037691905249024e-19 5.076400492407552e-19 5.107002065864832e-19 5.130041365671936e-19 5.145999044815104e-19 5.155275647449536e-19 5.158303761262849e-19 5.15684578053792e-19 5.152071294207936e-19 5.143259322793537e-19 5.129448560322241e-19 5.10950146139328e-19 5.081863914684481e-19 5.04453319941984e-19 4.994849702408833e-19 4.92917648272224e-19 4.842466684004544e-19 4.727510511462145e-19 4.573685534099136e-19 4.364761702746816e-19 4.0747196690833923e-19 3.6591310754140804e-19 3.035852326390464e-19 2.03460409075392e-19 2.361992861448192e-20 ] } }