{ "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" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" ] } "a" { "source-value" [ 11.6932 10.909707 10.424129 10.071331 9.794075 9.565647 9.371397 9.202416 9.05288 8.918772 8.797205 8.686032 8.583615 8.488674 8.400193 8.317348 8.239463 8.165979 8.096423 8.030399 7.967563 7.907623 7.850323 7.79544 7.739957 7.682781 7.623806 7.562915 7.499979 7.434857 7.36739 7.297404 7.224703 7.149069 7.070253 6.987977 6.901924 6.811729 6.716973 6.617171 6.511755 6.400055 6.281275 6.154455 6.018428 5.871752 5.712616 5.538705 5.346993 5.133415 4.892333 4.615603 4.290822 3.89772 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.16932e-09 1.0909707e-09 1.0424129e-09 1.0071331000000002e-09 9.794075e-10 9.565647000000001e-10 9.371397e-10 9.202416e-10 9.052880000000001e-10 8.918772000000001e-10 8.797205e-10 8.686032000000001e-10 8.583615e-10 8.488674e-10 8.400193e-10 8.317348000000002e-10 8.239463000000001e-10 8.165979e-10 8.096423e-10 8.030398999999999e-10 7.967563e-10 7.907623000000001e-10 7.850323e-10 7.79544e-10 7.739957000000001e-10 7.682781000000001e-10 7.623806e-10 7.562915e-10 7.499979e-10 7.434857000000001e-10 7.367390000000001e-10 7.297404e-10 7.224703e-10 7.149069e-10 7.070253e-10 6.987977e-10 6.901924e-10 6.811729e-10 6.716973e-10 6.617171e-10 6.511755e-10 6.400055000000001e-10 6.281275e-10 6.154455e-10 6.018428e-10 5.871752000000001e-10 5.712615999999999e-10 5.538705e-10 5.346993e-10 5.133415000000001e-10 4.892333e-10 4.6156030000000005e-10 4.2908220000000006e-10 3.89772e-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" [ 1.15525 1.56522 1.86463 2.12761 2.34777 2.52091 2.65162 2.75215 2.83276 2.89981 2.95707 3.00677 3.05017 3.08806 3.12096 3.14923 3.17317 3.19303 3.20906 3.2215 3.23058 3.23659 3.23989 3.2409 3.23994 3.2371 3.23256 3.22619 3.21763 3.2068 3.19353 3.1775 3.15837 3.13616 3.11114 3.08352 3.05304 3.01842 2.97671 2.92234 2.84611 2.73505 2.57807 2.36728 2.09007 1.72135 1.20518 0.419782 -0.843191 -2.86908 -6.09142 -11.462 -21.3302 -42.1976 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8509145564285e-19 2.50775891106948e-19 2.98746661705542e-19 3.4088070282647394e-19 3.76154223600618e-19 4.03894309841694e-19 4.2483636062470795e-19 4.409430423263099e-19 4.53858188172984e-19 4.64600782503954e-19 4.737748459102379e-19 4.81737663781218e-19 4.88691110372778e-19 4.94761757639004e-19 5.00032918764864e-19 5.04562272109182e-19 5.083978829709779e-19 5.11579805766102e-19 5.14148094910404e-19 5.161412026430999e-19 5.175959790267719e-19 5.18558887183806e-19 5.190876054730259e-19 5.1924942531306e-19 5.190956163561959e-19 5.186405981921399e-19 5.179132100003039e-19 5.168926234844459e-19 5.15521160285742e-19 5.137860029911199e-19 5.11659914597802e-19 5.090916254535e-19 5.06026661552658e-19 5.024682272485439e-19 4.984595813102759e-19 4.940343694471679e-19 4.89150935066736e-19 4.836041995598279e-19 4.76921520819414e-19 4.68210486460356e-19 4.55997093979374e-19 4.3820332028217e-19 4.1305235148163796e-19 3.7928007021355197e-19 3.3486613174243794e-19 2.7579067489359e-19 1.9309112357641198e-19 6.725649117737879e-20 -1.350940918199094e-19 -4.59677293707672e-19 -9.75953079188028e-19 -1.8364148578908e-18 -3.41747480385468e-18 -6.76080087308784e-18 ] } }