{ "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" [ 1.5279910493158978e-19 2.1461796883083599e-19 2.61366278657688e-19 2.99139194980872e-19 3.30692461610868e-19 3.57576985529388e-19 3.8076689012990397e-19 4.00933487422062e-19 4.18555828219428e-19 4.33999208794554e-19 4.47545612235024e-19 4.59414536739696e-19 4.69791834798114e-19 4.788233044839719e-19 4.86638722104624e-19 4.9334222914128e-19 4.990251496620779e-19 5.03769194675352e-19 5.076400534230959e-19 5.107002107940359e-19 5.130041407937279e-19 5.1459990872119195e-19 5.15527568992278e-19 5.15830380376104e-19 5.1568458230241e-19 5.152071336654779e-19 5.14325936516778e-19 5.1294486025827e-19 5.109501503489399e-19 5.0818639565529e-19 5.0445332409807e-19 4.99484974356036e-19 4.9291765233327e-19 4.842466723900619e-19 4.72751055041112e-19 4.57368557178078e-19 4.36476173870718e-19 4.0747197026541596e-19 3.6591311055609e-19 3.0358523514022197e-19 2.0346041075166e-19 2.36199288090816e-20 ] } }