{ "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 10.1101 9.432689 9.012856 8.707825 8.468108 8.270608 8.102659 7.956557 7.827268 7.711318 7.60621 7.510089 7.421539 7.339453 7.262952 7.191324 7.123984 7.060449 7.000311 6.943226 6.888898 6.837074 6.787532 6.74008 6.707776 6.673777 6.637895 6.599911 6.559562 6.516534 6.470445 6.420827 6.367094 6.308502 6.244082 6.172548 6.09213 6.000303 5.893289 5.765046 5.605016 5.39206 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.01101e-09 9.432689e-10 9.012855999999999e-10 8.707825e-10 8.468108000000001e-10 8.270608e-10 8.102659e-10 7.956557e-10 7.827268000000001e-10 7.711318000000001e-10 7.60621e-10 7.510089e-10 7.421539000000001e-10 7.339453e-10 7.262952000000001e-10 7.191324e-10 7.123984e-10 7.060449000000001e-10 7.000311000000001e-10 6.943226e-10 6.888898e-10 6.837074e-10 6.787531999999999e-10 6.74008e-10 6.707776e-10 6.673777e-10 6.637895000000001e-10 6.599911e-10 6.559562e-10 6.516534000000001e-10 6.470445e-10 6.420827000000001e-10 6.367094e-10 6.308502e-10 6.244082e-10 6.172548e-10 6.09213e-10 6.000303e-10 5.893289e-10 5.765046e-10 5.605016e-10 5.39206e-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" [ 0.317364 0.366527 0.428112 0.458788 0.478678 0.49504 0.510789 0.535355 0.572096 0.60691 0.639827 0.671435 0.701983 0.731105 0.758383 0.783176 0.804827 0.822686 0.836359 0.846328 0.85323 0.857592 0.859868 0.860522 0.860263 0.859519 0.858805 0.858116 0.85687 0.854409 0.850273 0.843927 0.834632 0.82143 0.803027 0.777417 0.742603 0.698663 0.631452 0.524332 0.341664 -0.00712837 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.084731810835712e-20 5.872409902919617e-20 6.859110374839297e-20 7.350594075035904e-20 7.669267004913024e-20 7.93141514360832e-20 8.183741939618113e-20 8.577332648283841e-20 9.165988360531969e-20 9.72377012929728e-20 1.0251158607566017e-19 1.0757574593868481e-19 1.1247007507990465e-19 1.171359338349984e-19 1.2150635122121665e-19 1.2547862771716609e-19 1.2894750031886015e-19 1.3180882754594689e-19 1.3399948363956673e-19 1.3559669351284224e-19 1.367025158165184e-19 1.3740138525851136e-19 1.3776604065740544e-19 1.3787082300840577e-19 1.3782932663392704e-19 1.3771012469333953e-19 1.375957292826144e-19 1.3748533931344128e-19 1.3728570810648962e-19 1.3689141244011073e-19 1.3622875218974784e-19 1.3521201090618816e-19 1.3372278773715457e-19 1.316075941623744e-19 1.2865910852711617e-19 1.2455593420124736e-19 1.1897811651359425e-19 1.1193815244179905e-19 1.0116976315574017e-19 8.400724719373057e-20 5.474060729690113e-20 -1.1420907758412097e-21 ] } }