{ "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" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" ] } "a" { "source-value" [ 9.58869 8.946212 8.54803 8.25873 8.031375 7.84406 7.684772 7.546204 7.423582 7.313612 7.213924 7.12276 7.038777 6.960924 6.888368 6.820433 6.756567 6.696308 6.639271 6.58513 6.533604 6.484452 6.437465 6.39246 6.361822 6.329577 6.295546 6.259521 6.221253 6.180444 6.136732 6.089674 6.038712 5.983142 5.922046 5.854201 5.777931 5.69084 5.589345 5.467718 5.315942 5.11397 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.58869e-10 8.946211999999999e-10 8.548030000000001e-10 8.25873e-10 8.031375000000001e-10 7.844060000000001e-10 7.684772e-10 7.546204e-10 7.423582e-10 7.313612e-10 7.213924e-10 7.122760000000001e-10 7.038776999999999e-10 6.960924000000001e-10 6.888368e-10 6.820433000000001e-10 6.756567000000001e-10 6.696308e-10 6.639271e-10 6.585130000000001e-10 6.533604e-10 6.484452e-10 6.437465000000001e-10 6.39246e-10 6.361822e-10 6.329576999999999e-10 6.295546e-10 6.259521e-10 6.221253000000001e-10 6.180444e-10 6.136732000000001e-10 6.089674e-10 6.038712000000001e-10 5.983142e-10 5.922046e-10 5.854201e-10 5.777931e-10 5.69084e-10 5.589345e-10 5.467718e-10 5.315942e-10 5.11397e-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" [ 0.847272 0.966277 1.04068 1.09366 1.13391 1.16569 1.19142 1.2126 1.23024 1.24505 1.25756 1.26814 1.2771 1.28467 1.29104 1.29637 1.30078 1.30438 1.30726 1.30948 1.31113 1.31224 1.31288 1.31309 1.31299 1.31268 1.3121 1.31121 1.30995 1.30822 1.30592 1.30291 1.299 1.29393 1.28736 1.27877 1.26741 1.2521 1.23091 1.20039 1.15375 1.07526 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.357479401042448e-19 1.548146431371618e-19 1.66735317947112e-19 1.75223649754044e-19 1.81672410705894e-19 1.8676412804874597e-19 1.9088652852802797e-19 1.9427993863883997e-19 1.9710617822121599e-19 1.9947900181617e-19 2.0148332478530398e-19 2.03178427664076e-19 2.0461397792813997e-19 2.0582682564007798e-19 2.0684741215593598e-19 2.0770137230185798e-19 2.08407932197452e-19 2.08984715785692e-19 2.09446142656284e-19 2.09801825869032e-19 2.1006618501364198e-19 2.10244026620016e-19 2.10346565924592e-19 2.10380211633906e-19 2.10364189867566e-19 2.10314522391912e-19 2.1022159614714e-19 2.10079002426714e-19 2.0987712817082998e-19 2.0959995161314798e-19 2.09231450987328e-19 2.0874919582049399e-19 2.0812274475659999e-19 2.07310441203162e-19 2.06257811154624e-19 2.0488154142601797e-19 2.0306146876979397e-19 2.0060853634313998e-19 1.9721352405569398e-19 1.92323680968726e-19 1.8485112914775e-19 1.72275644747484e-19 ] } }