{ "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" [ "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "a" { "source-value" [ 9.20631 8.589453 8.20715 7.929386 7.711098 7.531253 7.378316 7.245275 7.127543 7.021958 6.926246 6.838717 6.758083 6.683335 6.613672 6.548446 6.487127 6.429271 6.374509 6.322527 6.273055 6.225863 6.18075 6.13754 6.108124 6.077164 6.04449 6.009902 5.97316 5.933978 5.89201 5.846827 5.797898 5.744544 5.685884 5.620744 5.547515 5.463898 5.36645 5.249672 5.103948 4.91003 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.206310000000001e-10 8.589453000000001e-10 8.207150000000001e-10 7.929386e-10 7.711098e-10 7.531253000000001e-10 7.378316e-10 7.245275000000001e-10 7.127543000000001e-10 7.021958e-10 6.926246000000001e-10 6.838717000000001e-10 6.758083e-10 6.683335e-10 6.613672e-10 6.548446e-10 6.487127000000001e-10 6.429271e-10 6.374509e-10 6.322527e-10 6.273055000000001e-10 6.225863000000001e-10 6.18075e-10 6.137540000000001e-10 6.108124e-10 6.077164e-10 6.04449e-10 6.009902000000001e-10 5.97316e-10 5.933978e-10 5.89201e-10 5.846827e-10 5.797898000000001e-10 5.744544000000001e-10 5.685884e-10 5.620744000000001e-10 5.547515e-10 5.463898000000001e-10 5.366450000000001e-10 5.249672e-10 5.103948e-10 4.91003e-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" [ 1.31646 1.9733 2.55058 3.07967 3.57422 4.0375 4.47454 4.88535 5.27124 5.63298 5.97138 6.28709 6.57925 6.84775 7.09339 7.31576 7.51359 7.68648 7.83398 7.95561 8.05086 8.1192 8.16128 8.17549 8.16834 8.14427 8.09844 8.02447 7.9142 7.75579 7.53295 7.22288 6.79264 6.19328 5.34966 4.14253 2.37086 -0.320492 -4.61603 -11.977 -26.006 -57.955 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.109201434218368e-19 3.1615751258246404e-19 4.0864796454800645e-19 4.934175273779137e-19 5.726531721595776e-19 6.46878810648e-19 7.1690033768344325e-19 7.82719355442528e-19 8.445457490625792e-19 9.025028861433985e-19 9.567205429912704e-19 1.0073028610865472e-18 1.0541120532398402e-18 1.09713049550832e-18 1.1364863620216513e-18 1.172113963538381e-18 1.2038098236276671e-18 1.2315098552246786e-18 1.2551419603814785e-18 1.274629234620269e-18 1.289889966933389e-18 1.300839241959936e-18 1.3075812011802624e-18 1.3098578941584192e-18 1.3087123378745473e-18 1.3048558987482819e-18 1.2975131232951552e-18 1.2856618228310978e-18 1.267994621233536e-18 1.2426145413834433e-18 1.206911637565536e-18 1.1572329470843905e-18 1.0883009001510912e-18 9.922728422068225e-19 8.571100181228929e-19 6.6370647169626245e-19 3.798536463189888e-19 -5.1348478955343365e-20 -7.395695346911425e-19 -1.91892693873216e-18 -4.1666205200524804e-18 -9.285414605846401e-18 ] } }