{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 7.79976 7.277147 6.953253 6.717926 6.532988 6.38062 6.251049 6.138334 6.038589 5.949135 5.868046 5.793891 5.725575 5.662248 5.603228 5.547968 5.496016 5.447 5.400605 5.356564 5.314651 5.274669 5.236448 5.19984 5.174918 5.148688 5.121007 5.091703 5.060574 5.027378 4.991822 4.953543 4.912089 4.866886 4.817188 4.762001 4.69996 4.629117 4.546558 4.447621 4.324161 4.15987 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.79976e-10 7.277147e-10 6.953253000000001e-10 6.717926e-10 6.532987999999999e-10 6.380620000000001e-10 6.251049000000001e-10 6.138334000000001e-10 6.038589e-10 5.949135e-10 5.868046e-10 5.793891e-10 5.725575000000001e-10 5.662248e-10 5.603227999999999e-10 5.547968e-10 5.496016e-10 5.447e-10 5.400604999999999e-10 5.356564e-10 5.314651e-10 5.274669000000001e-10 5.236448e-10 5.19984e-10 5.174918e-10 5.148688e-10 5.121006999999999e-10 5.091703e-10 5.060574e-10 5.027378e-10 4.991822e-10 4.953543e-10 4.912089e-10 4.866886000000001e-10 4.817188e-10 4.762001e-10 4.69996e-10 4.6291170000000003e-10 4.546558e-10 4.447621e-10 4.3241610000000004e-10 4.15987e-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" [ 0.493398 0.670523 0.81954 0.978943 1.1366 1.29423 1.44779 1.59276 1.72647 1.84776 1.95644 2.0529 2.17965 2.25705 2.3199 2.37354 2.41876 2.45626 2.48668 2.51059 2.52848 2.5408 2.54794 2.55024 2.54914 2.54552 2.53885 2.52847 2.5135 2.49285 2.46507 2.42825 2.37978 2.31606 2.23196 2.11994 1.96847 1.75911 1.46042 1.0142 0.299713 -0.981304 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.905107468623319e-20 1.0742962831595819e-19 1.31304783862836e-19 1.5684396006178618e-19 1.8210339622044e-19 2.0735850650218198e-19 2.3196153089388597e-19 2.55188285556984e-19 2.76610989330198e-19 2.96043789723984e-19 3.13456245382296e-19 3.2891084119386003e-19 3.4921843002981e-19 3.6161927717696997e-19 3.7168895732166e-19 3.80283032786436e-19 3.8752807552538395e-19 3.9353623790288397e-19 3.9841005922351195e-19 4.02240863555406e-19 4.0510715755363197e-19 4.0708103916671997e-19 4.0822499328339597e-19 4.0859349390921596e-19 4.0841725447947595e-19 4.078372665379679e-19 4.0676861472309e-19 4.05105555376998e-19 4.027070969559e-19 3.9939860220668995e-19 3.9494775551743796e-19 3.8904854115104995e-19 3.8128279100605195e-19 3.7107372149420396e-19 3.57599416002264e-19 3.39651833348196e-19 3.1538366387299795e-19 2.8184049386357397e-19 2.33985079982628e-19 1.6249275422027999e-19 4.8019316550604197e-20 -1.5722223396507358e-19 ] } }