{ "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 6.258645 6.212412 6.164724 6.115487 6.064596 6.011937 5.957383 5.900791 5.842004 5.780845 5.717114 5.650585 5.581001 5.508068 5.431447 5.350746 5.265505 5.175183 5.079135 4.976587 4.866594 4.747989 4.61931 4.478683 4.323662 4.15096 3.956018 3.73225 3.469627 3.15176 ] "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 6.258644999999999e-10 6.212412e-10 6.164724e-10 6.115487e-10 6.064596e-10 6.011937e-10 5.957383e-10 5.900791e-10 5.842004e-10 5.780845e-10 5.717114e-10 5.650585e-10 5.581001e-10 5.508068e-10 5.431447000000001e-10 5.350746e-10 5.265505000000001e-10 5.175183e-10 5.079135e-10 4.976587e-10 4.866594000000001e-10 4.747989e-10 4.61931e-10 4.4786830000000005e-10 4.323662e-10 4.1509600000000006e-10 3.956018e-10 3.73225e-10 3.469627e-10 3.15176e-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 3.21754 3.21104 3.1993 3.1814 3.15627 3.12263 3.07896 3.02341 2.95375 2.86727 2.76064 2.62978 2.46961 2.27375 2.03414 1.74049 1.3795 0.933745 0.380138 -0.31246 -1.18681 -2.30284 -3.74654 -5.6449 -8.19154 -11.6939 -16.6642 -24.0099 -35.4708 -54.7595 ] "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 5.15506740696036e-19 5.14465325883936e-19 5.125843705156199e-19 5.0971647434076e-19 5.05690204459518e-19 5.00300482262742e-19 4.933037769020639e-19 4.84403685700194e-19 4.732429232677499e-19 4.59387299736918e-19 4.42303290288576e-19 4.2133720685605193e-19 3.9567514370927393e-19 3.6429491215575e-19 3.2590515782847593e-19 2.78857240971066e-19 2.210202666603e-19 1.49602442111433e-19 6.09048221295492e-20 -5.0061611105964e-20 -1.9014792509975397e-19 -3.68955643984056e-19 -6.00261884634636e-19 -9.044126881266599e-19 -1.3124293984476358e-18 -1.8735693340332598e-18 -2.66989918643028e-18 -3.8468100764676594e-18 -5.683048694928719e-18 -8.7734391389523e-18 ] } }