{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 8.47762 7.909589 7.557546 7.301768 7.100757 6.935147 6.794316 6.671805 6.563392 6.466164 6.378028 6.297428 6.223175 6.154344 6.090195 6.030132 5.973666 5.92039 5.869962 5.822095 5.776539 5.733082 5.69154 5.65175 5.624662 5.596153 5.566066 5.534215 5.500381 5.4643 5.425654 5.384048 5.338992 5.28986 5.235843 5.17586 5.108427 5.031428 4.941693 4.834158 4.699969 4.5214 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.47762e-10 7.909589000000001e-10 7.557546e-10 7.301768000000001e-10 7.100757e-10 6.935147e-10 6.794316000000001e-10 6.671805e-10 6.563392000000001e-10 6.466164e-10 6.378028e-10 6.297428e-10 6.223175e-10 6.154344000000001e-10 6.090195e-10 6.030132000000001e-10 5.973666e-10 5.92039e-10 5.869962000000001e-10 5.822095e-10 5.776539e-10 5.733082e-10 5.69154e-10 5.65175e-10 5.624662000000001e-10 5.596153e-10 5.566066000000001e-10 5.534215e-10 5.500381e-10 5.464299999999999e-10 5.425654e-10 5.384048e-10 5.338992e-10 5.28986e-10 5.235843e-10 5.17586e-10 5.108427e-10 5.031428e-10 4.941693e-10 4.834158000000001e-10 4.699969000000001e-10 4.5214e-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" [ 1.35275 2.10989 2.32771 2.49168 2.65885 2.85594 3.08002 3.319 3.54589 3.73448 3.90783 4.08379 4.27558 4.49042 4.72866 4.98701 5.2593 5.51268 5.72351 5.88932 6.01171 6.09431 6.1416 6.15762 6.15001 6.12606 6.08358 6.01967 5.93056 5.81179 5.65735 5.45811 5.2 4.86336 4.42458 3.85973 3.14637 2.27799 1.28246 0.27278 -0.406858 -0.899504 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.1673444416434997e-19 3.38041645831026e-19 3.72940257272814e-19 3.99211147540512e-19 4.2599473433109e-19 4.57572033610596e-19 4.93473607625268e-19 5.317624248246e-19 5.68114210473426e-19 5.98329659614032e-19 6.26103391564422e-19 6.542952916162859e-19 6.850234372797719e-19 7.19444600084628e-19 7.576148562130439e-19 7.990070895524339e-19 8.426327571196198e-19 8.832287086719118e-19 9.17007398646534e-19 9.435730894148878e-19 9.63182129238414e-19 9.764161082352539e-19 9.8399280153744e-19 9.865594885051079e-19 9.853402320866339e-19 9.815030190482039e-19 9.74696972706972e-19 9.644574618390778e-19 9.501804658535038e-19 9.311514139714859e-19 9.0640739803599e-19 8.744856307801739e-19 8.3313184968e-19 7.791961754730239e-19 7.088958691263719e-19 6.183969219548819e-19 5.04104049591858e-19 3.6497423504856595e-19 2.0547274460396398e-19 4.3704174222252e-20 -6.518583809559719e-20 -1.4411642909895358e-19 ] } }