{ "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" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" [ 7.98616 7.451058 7.119424 6.878474 6.689116 6.533107 6.40044 6.285031 6.182903 6.091311 6.008285 5.932357 5.862409 5.797568 5.737138 5.680557 5.627364 5.577176 5.529672 5.484579 5.441665 5.400727 5.361593 5.32411 5.298592 5.271736 5.243393 5.213389 5.181516 5.147527 5.111121 5.071927 5.029483 4.9832 4.932315 4.875809 4.812285 4.73975 4.655217 4.553917 4.427507 4.25929 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.98616e-10 7.451058e-10 7.119424000000001e-10 6.878474e-10 6.689116e-10 6.533107e-10 6.40044e-10 6.285031e-10 6.182902999999999e-10 6.091311000000001e-10 6.008285e-10 5.932357e-10 5.862409000000001e-10 5.797568e-10 5.737138e-10 5.680557000000001e-10 5.627364000000001e-10 5.577176e-10 5.529671999999999e-10 5.484579e-10 5.441665e-10 5.400727e-10 5.361593e-10 5.32411e-10 5.298592e-10 5.271736e-10 5.243393000000001e-10 5.213389e-10 5.181516e-10 5.147527e-10 5.111121e-10 5.071927e-10 5.029483e-10 4.9832e-10 4.932315e-10 4.875809000000001e-10 4.812285e-10 4.73975e-10 4.6552170000000004e-10 4.5539170000000004e-10 4.4275070000000006e-10 4.2592900000000004e-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" [ 1.05052 1.41009 1.66221 1.85724 2.01864 2.15798 2.28127 2.39189 2.49182 2.58236 2.6644 2.73858 2.80538 2.86521 2.91838 2.96517 3.00582 3.04052 3.06948 3.09286 3.11081 3.12348 3.13099 3.13347 3.13225 3.12821 3.12065 3.10867 3.09108 3.06636 3.03241 2.98643 2.92448 2.84097 2.72772 2.57235 2.35532 2.04425 1.5818 0.857267 -0.370838 -2.73619 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.683118583682816e-19 2.2592132312238724e-19 2.663154000859968e-19 2.975626507214592e-19 3.234217813811712e-19 3.4574651041539837e-19 3.6549974597324162e-19 3.832230237525312e-19 3.9923357472418565e-19 4.137396818489088e-19 4.2688393884595204e-19 4.387688850190464e-19 4.494714248459904e-19 4.590572475682368e-19 4.675760206610304e-19 4.750726050697536e-19 4.815854530333056e-19 4.871450059074816e-19 4.917849094013184e-19 4.955307983407489e-19 4.984067053750848e-19 5.004366631536384e-19 5.016398977958593e-19 5.020372375978177e-19 5.0184177205008e-19 5.011944926952768e-19 4.99983247169952e-19 4.980638395782337e-19 4.952456109022464e-19 4.912850302956288e-19 4.858456406680128e-19 4.7847883256557445e-19 4.685533483997184e-19 4.551735714394176e-19 4.370289212088577e-19 4.1213590305148806e-19 3.773638638502656e-19 3.2752495570704e-19 2.5343229787814405e-19 1.3734931451833537e-19 -5.941479737042305e-20 -4.383859648066753e-19 ] } }