{ "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" [ 2.1673444237872e-19 3.3804164304597123e-19 3.7294025420023683e-19 3.9921114425149444e-19 4.2599473082140804e-19 4.575720298407552e-19 4.934736035596417e-19 5.3176242044352e-19 5.681142057928512e-19 5.983296546845185e-19 6.261033864060865e-19 6.5429528622568315e-19 6.850234316360064e-19 7.194445941572737e-19 7.576148499712128e-19 7.990070829695808e-19 8.42632750177344e-19 8.832287013951743e-19 9.170073910915009e-19 9.435730816409856e-19 9.631821213029568e-19 9.764161001907649e-19 9.839927934305282e-19 9.865594803770497e-19 9.85340223968621e-19 9.815030109618049e-19 9.746969646766466e-19 9.644574538931136e-19 9.501804580251648e-19 9.311514062999234e-19 9.064073905682881e-19 8.744856235754687e-19 8.331318428160001e-19 7.791961690533889e-19 7.088958632859264e-19 6.183969168600384e-19 5.041040454386496e-19 3.6497423204161923e-19 2.054727429111168e-19 4.3704173862182405e-20 -6.518583755854464e-20 -1.4411642791160833e-19 ] } }