{ "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" [ "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" ] } "a" { "source-value" [ 12.73 11.877038 11.348406 10.964326 10.662486 10.413805 10.202331 10.018367 9.855572 9.709574 9.577228 9.456197 9.344699 9.241341 9.145014 9.054823 8.970033 8.890033 8.81431 8.742431 8.674024 8.60877 8.546389 8.48664 8.445965 8.403156 8.357976 8.310149 8.259344 8.205166 8.147135 8.084659 8.017003 7.943228 7.862115 7.772045 7.670787 7.555166 7.420421 7.258947 7.057449 6.78931 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.273e-09 1.1877038000000001e-09 1.1348406000000002e-09 1.0964326000000001e-09 1.0662486e-09 1.0413805000000001e-09 1.0202330999999999e-09 1.0018367e-09 9.855572e-10 9.709574000000001e-10 9.577228e-10 9.456197e-10 9.344699000000002e-10 9.241341000000001e-10 9.145014e-10 9.054823000000001e-10 8.970033000000001e-10 8.890033000000002e-10 8.814310000000001e-10 8.742431e-10 8.674024e-10 8.60877e-10 8.546389e-10 8.48664e-10 8.445965e-10 8.403156e-10 8.357976000000001e-10 8.310148999999999e-10 8.259344000000001e-10 8.205166e-10 8.147135000000001e-10 8.084659e-10 8.017003000000001e-10 7.943228000000001e-10 7.862115000000001e-10 7.772045000000001e-10 7.670787e-10 7.555166e-10 7.420421e-10 7.258947e-10 7.057449e-10 6.789310000000001e-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" [ 0.00519545 0.00778884 0.0100705 0.0121563 0.014111 0.0159395 0.0176658 0.0192896 0.0208149 0.0222447 0.0235807 0.0248273 0.0259821 0.0270433 0.0280102 0.0288877 0.0296696 0.030353 0.030936 0.0314167 0.0317932 0.0320633 0.0322249 0.0322803 0.032252 0.0321569 0.0319757 0.0316833 0.0312458 0.0306186 0.0297378 0.0285122 0.0268117 0.0244427 0.0211082 0.0163352 0.00933251 -0.0013107 -0.0182889 -0.0473855 -0.102848 -0.229133 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.32402852453536e-22 1.2479097351151874e-21 1.61347196597664e-21 1.9476539655431042e-21 2.2608314296108803e-21 2.55378942472416e-21 2.830373174772864e-21 3.0905346144583682e-21 3.3349146144289924e-21 3.563993827670976e-21 3.778044624209856e-21 3.9777719617587844e-21 4.162791317928768e-21 4.332814300928064e-21 4.4877287583932164e-21 4.628319756868416e-21 4.753593946848768e-21 4.8630866971142404e-21 4.9564935941068804e-21 5.033510224268736e-21 5.093832174041857e-21 5.1371069645696645e-21 5.162998138761792e-21 5.171874197241024e-21 5.167340037404161e-21 5.152103337740352e-21 5.123071897371457e-21 5.076224252979264e-21 5.006129025819264e-21 4.905640508162688e-21 4.764520791402625e-21 4.568158024757377e-21 4.2957078903903365e-21 3.916152248922816e-21 3.3819064547170562e-21 2.617187553609216e-21 1.495232933538221e-21 -2.09997289688256e-22 -2.9302048000149122e-21 -7.59199402649184e-21 -1.647806610960384e-20 -3.6711153565376643e-20 ] } }