{ "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" [ "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" ] } "a" { "source-value" [ 10.2481 9.561434 9.135866 8.826668 8.583676 8.383478 8.213234 8.065136 7.934081 7.816547 7.710003 7.612569 7.522809 7.439602 7.362055 7.289448 7.221189 7.156786 7.095827 7.037961 6.982891 6.930359 6.88014 6.83204 6.799295 6.764832 6.728461 6.689959 6.649059 6.605444 6.558726 6.508432 6.453966 6.394574 6.329276 6.256766 6.17525 6.082171 5.973696 5.843704 5.681491 5.46563 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.0248100000000001e-09 9.561434e-10 9.135866e-10 8.826668e-10 8.583676000000001e-10 8.383478e-10 8.213234000000001e-10 8.065136000000002e-10 7.934081000000001e-10 7.816547e-10 7.710003e-10 7.612569e-10 7.522809e-10 7.439602e-10 7.362055e-10 7.289448e-10 7.221189e-10 7.156786e-10 7.095827e-10 7.037961000000001e-10 6.982891000000001e-10 6.930359000000001e-10 6.88014e-10 6.83204e-10 6.799295e-10 6.764832e-10 6.728461e-10 6.689959e-10 6.649059000000001e-10 6.605444e-10 6.558726e-10 6.508432e-10 6.453966e-10 6.394574000000001e-10 6.329276000000001e-10 6.256766e-10 6.17525e-10 6.082171e-10 5.973696000000001e-10 5.843704e-10 5.681491000000001e-10 5.46563e-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" [ 0.00164147 0.00244004 0.00314142 0.00378247 0.0043781 0.00493649 0.00546167 0.00595576 0.00642015 0.00685578 0.00726326 0.00764266 0.00799406 0.00831754 0.00861263 0.00887905 0.0091162 0.0093236 0.00950091 0.00964736 0.00976255 0.00984571 0.0098961 0.00991305 0.0099046 0.00987599 0.00982143 0.00973338 0.00960161 0.00941218 0.00914581 0.00877541 0.00826165 0.00754623 0.00653945 0.00509838 0.00298413 -0.000228889 -0.00535848 -0.0141473 -0.0309072 -0.069073 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.629924857744576e-22 3.9093750418168325e-22 5.033109680113536e-22 6.060185002877377e-22 7.0144894635244805e-22 7.909128866812992e-22 8.750559984524737e-22 9.542179431095808e-22 1.0286214232029122e-21 1.0984170433348224e-21 1.1637025362791807e-21 1.2244891172723328e-21 1.280789603727245e-21 1.3326168130568832e-21 1.3798954429600703e-21 1.422580632491424e-21 1.460576251053696e-21 1.4938053941690881e-21 1.5222135878324929e-21 1.545677464444109e-21 1.564132936939104e-21 1.577456637717677e-21 1.585530005709888e-21 1.588245695082144e-21 1.586891855837568e-21 1.5823080285254591e-21 1.5735665528823747e-21 1.5594593877362306e-21 1.5383475064039489e-21 1.5079974746761344e-21 1.465320296027885e-21 1.405975673993453e-21 1.3236622479232321e-21 1.2090393281179585e-21 1.047735390289056e-21 8.168505239954304e-22 4.781103319427905e-22 -3.667206045582912e-23 -8.585231379024385e-22 -2.266647330744384e-21 -4.951879325438976e-21 -1.106671457285184e-20 ] } }