{ "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" [ "Ga" "Ga" "Ga" "Ga" ] } "a" { "source-value" [ 6.37032 5.943485 5.67895 5.486751 5.335706 5.211262 5.105437 5.013379 4.931914 4.858854 4.792626 4.732061 4.676265 4.624543 4.57634 4.531207 4.488777 4.448744 4.410851 4.374882 4.34065 4.307995 4.276779 4.24688 4.216653 4.185504 4.153375 4.120203 4.085916 4.050438 4.013683 3.975555 3.935948 3.894743 3.851805 3.806982 3.760101 3.710964 3.659342 3.604971 3.547541 3.486688 3.421978 3.352887 3.278781 3.198873 3.112177 3.017433 2.91299 2.796634 2.665296 2.514536 2.337598 2.12344 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.37032e-10 5.943485000000001e-10 5.67895e-10 5.486751e-10 5.335706e-10 5.211262e-10 5.105437e-10 5.013379e-10 4.931914e-10 4.858854e-10 4.792626000000001e-10 4.732061e-10 4.676265e-10 4.624543e-10 4.5763400000000003e-10 4.5312070000000005e-10 4.488777e-10 4.448744e-10 4.410851e-10 4.3748820000000005e-10 4.3406500000000004e-10 4.307995e-10 4.2767790000000007e-10 4.24688e-10 4.216653e-10 4.185504e-10 4.1533749999999996e-10 4.1202030000000003e-10 4.0859160000000003e-10 4.050438e-10 4.0136830000000006e-10 3.9755550000000003e-10 3.935948e-10 3.8947430000000003e-10 3.851805e-10 3.8069820000000003e-10 3.760101e-10 3.7109640000000003e-10 3.6593420000000004e-10 3.604971e-10 3.547541e-10 3.4866880000000003e-10 3.4219780000000004e-10 3.352887e-10 3.278781e-10 3.198873e-10 3.1121770000000003e-10 3.017433e-10 2.91299e-10 2.796634e-10 2.6652960000000004e-10 2.514536e-10 2.337598e-10 2.12344e-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 0 0 1.99371 2.12356 2.2338 2.32897 2.41199 2.48489 2.54913 2.60581 2.6558 2.69979 2.73833 2.7719 2.80088 2.82562 2.84639 2.86345 2.87701 2.88729 2.89444 2.89863 2.9 2.89852 2.89374 2.88505 2.87172 2.85287 2.82747 2.79424 2.75163 2.69776 2.63029 2.54633 2.44228 2.31358 2.15446 1.95751 1.71311 1.40862 1.02728 0.546395 -0.0651632 -0.850946 -1.87328 -3.22356 -5.03985 -7.53813 -11.0706 -16.2418 -24.1584 -37.022 -59.7331 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 3.1942755769721397e-19 3.4023182128970396e-19 3.5789421650291996e-19 3.73142131528698e-19 3.8644340194416594e-19 3.98123269606026e-19 4.0841565230284196e-19 4.17496789464354e-19 4.2550607045772e-19 4.3255404547068597e-19 4.38728834218122e-19 4.4410734117845995e-19 4.487504490637919e-19 4.52714234056308e-19 4.56041954925126e-19 4.587752682627299e-19 4.60947819778434e-19 4.62594857358186e-19 4.63740413651496e-19 4.644117256611419e-19 4.6463122386e-19 4.643941017181679e-19 4.63628261287116e-19 4.622359697921699e-19 4.60100268339048e-19 4.57080165383958e-19 4.530106367335979e-19 4.476866037788159e-19 4.40859729141342e-19 4.32228803613984e-19 4.2141891786438596e-19 4.0796704284532203e-19 3.912963949685519e-19 3.7067638168897195e-19 3.4518254708876395e-19 3.13627678282134e-19 2.74470481347174e-19 2.25685805018508e-19 1.64588401257552e-19 8.754213019344299e-20 -1.044029564366688e-20 -1.363365797995764e-19 -3.00132544493952e-19 -5.164712510297039e-19 -8.0747299088649e-19 -1.207741575005442e-18 -1.77370566443604e-18 -2.60222324541012e-18 -3.8706023994825596e-18 -5.9315783343948e-18 -9.57029770963854e-18 ] } }