{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ne" "Ne" "Ne" "Ne" ] } "a" { "source-value" [ 6.36609 5.939538 5.675179 5.483107 5.332163 5.207801 5.102047 5.01005 4.928639 4.855628 4.789444 4.728919 4.67316 4.621473 4.573301 4.528199 4.485796 4.44579 4.407922 4.371977 4.337768 4.305135 4.273939 4.24406 4.213853 4.182725 4.150617 4.117467 4.083203 4.047748 4.011017 3.972915 3.933335 3.892157 3.849248 3.804454 3.757604 3.7085 3.656912 3.602577 3.545185 3.484373 3.419705 3.350661 3.276604 3.196749 3.110111 3.015429 2.911055 2.794777 2.663526 2.512866 2.336046 2.12203 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.36609e-10 5.939538e-10 5.675179e-10 5.483107000000001e-10 5.332163000000001e-10 5.207801e-10 5.102047e-10 5.01005e-10 4.928639000000001e-10 4.855628000000001e-10 4.789444e-10 4.728919000000001e-10 4.673160000000001e-10 4.621473e-10 4.573301e-10 4.528199e-10 4.485796e-10 4.4457899999999997e-10 4.407922e-10 4.3719770000000004e-10 4.337768e-10 4.305135e-10 4.2739390000000006e-10 4.2440600000000005e-10 4.2138530000000003e-10 4.1827249999999996e-10 4.150617e-10 4.1174670000000003e-10 4.0832030000000004e-10 4.0477480000000007e-10 4.011017e-10 3.972915e-10 3.933335e-10 3.892157e-10 3.849248e-10 3.804454e-10 3.7576040000000003e-10 3.7085e-10 3.6569120000000003e-10 3.6025770000000005e-10 3.545185e-10 3.484373e-10 3.419705e-10 3.350661e-10 3.276604e-10 3.196749e-10 3.110111e-10 3.015429e-10 2.911055e-10 2.794777e-10 2.663526e-10 2.5128659999999997e-10 2.336046e-10 2.1220300000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.00354862 0.00542496 0.00714816 0.00871937 0.0101758 0.011548 0.012849 0.014071 0.0152177 0.0162916 0.0172938 0.0182249 0.0191004 0.0199154 0.0206583 0.0213282 0.0219241 0.0224446 0.0228886 0.0232544 0.0235406 0.0237456 0.0238714 0.0239143 0.0238659 0.0237041 0.0233988 0.0229123 0.0221962 0.0211882 0.0198082 0.0179558 0.0155305 0.0123132 0.00805977 0.00243794 -0.00500869 -0.0149158 -0.0281834 -0.0461223 -0.0706577 -0.104669 -0.152627 -0.221728 -0.323763 -0.479072 -0.724285 -1.12941 -1.83775 -3.16922 -5.92279 -12.4065 -30.7884 -100.092 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.68551604694508e-22 8.69174415238464e-22 1.1452614928093439e-21 1.396997087720058e-21 1.63034289922572e-21 1.8501935769431998e-21 2.0586367570265997e-21 2.2544227417014e-21 2.43814433632218e-21 2.61020208504744e-21 2.77077222730692e-21 2.9199508936986594e-21 3.0602214580053598e-21 3.1907988536763596e-21 3.30982455581622e-21 3.4171543685278794e-21 3.51262807414794e-21 3.596021367947639e-21 3.6671580104972394e-21 3.72576563176896e-21 3.7716199270340395e-21 3.804464548031039e-21 3.82461993008676e-21 3.8314932678466196e-21 3.82373873293806e-21 3.79781551499994e-21 3.74890106236392e-21 3.67095516911982e-21 3.5562233003590794e-21 3.39472389565188e-21 3.17362352015988e-21 2.87683632047772e-21 2.4882604214337e-21 1.9727921329768797e-21 1.291317516941418e-21 3.9060105030939597e-22 -8.024806084949459e-22 -2.3897746237417197e-21 -4.5154784946675595e-21 -7.389607136633819e-21 -1.132061159521818e-20 -1.67698226104146e-20 -2.44535413117518e-20 -3.55247420703552e-20 -5.18725513553742e-20 -7.675579644036479e-20 -1.1604325033566898e-19 -1.80951431220594e-19 -2.9444001091335e-19 -5.07765023200548e-19 -9.48935574608886e-19 -1.9877404409720997e-18 -4.932845507824559e-18 -1.60365063650328e-17 ] } }