{ "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" [ 8.71391 8.130045 7.768189 7.505281 7.298668 7.128441 6.983685 6.857759 6.746324 6.646386 6.555793 6.472946 6.396624 6.325873 6.259936 6.1982 6.140159 6.085398 6.033565 5.984363 5.937537 5.892869 5.850169 5.80927 5.767923 5.725315 5.681366 5.635989 5.589088 5.540558 5.490281 5.438126 5.383948 5.327584 5.26885 5.207537 5.143408 5.076194 5.00558 4.931206 4.852649 4.769408 4.680891 4.586383 4.485014 4.375708 4.257118 4.127517 3.98465 3.825488 3.645831 3.439608 3.197575 2.90463 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.71391e-10 8.130045000000001e-10 7.768189e-10 7.505281e-10 7.298668e-10 7.128441e-10 6.983685000000001e-10 6.857759e-10 6.746324e-10 6.646386e-10 6.555793000000001e-10 6.472946000000001e-10 6.396624e-10 6.325873e-10 6.259936e-10 6.1982e-10 6.140159e-10 6.085398e-10 6.033565000000001e-10 5.984363e-10 5.937537e-10 5.892869000000001e-10 5.850169000000001e-10 5.80927e-10 5.767923e-10 5.725315e-10 5.681366e-10 5.635989000000001e-10 5.589088e-10 5.540558000000001e-10 5.490281e-10 5.438126e-10 5.383948e-10 5.327584e-10 5.26885e-10 5.207537e-10 5.143408000000001e-10 5.076194000000001e-10 5.005580000000001e-10 4.931206e-10 4.852649e-10 4.769408000000001e-10 4.680891e-10 4.586383e-10 4.485014e-10 4.3757080000000007e-10 4.2571180000000003e-10 4.127517e-10 3.98465e-10 3.825488e-10 3.645831e-10 3.439608e-10 3.197575e-10 2.90463e-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 0 0 0.119903 0.888866 1.82864 2.62539 3.1982 3.55071 3.73205 3.87743 4.00706 4.12224 4.22405 4.31343 4.39116 4.45795 4.51438 4.56101 4.5983 4.62668 4.64654 4.65823 4.66206 4.6579 4.64439 4.61969 4.58165 4.52761 4.45439 4.3581 4.23397 4.07611 3.87722 3.62815 3.31741 2.93035 2.44821 1.84664 1.09374 0.147145 -1.05027 -2.57663 -4.54348 -7.13834 -10.6629 -15.5504 -22.3483 -31.8627 -46.0017 -68.309 -104.837 -169.499 -300.306 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 1.9210578494650197e-20 1.424120335957044e-19 2.9298042799977597e-19 4.2063385131372594e-19 5.124081310858799e-19 5.68886459611014e-19 5.979403306919699e-19 6.21232774597062e-19 6.42001790303604e-19 6.604556607740159e-19 6.7676742108477e-19 6.91087675839462e-19 7.03541394815544e-19 7.1424233255403e-19 7.232834152996919e-19 7.307543649440339e-19 7.367288816122199e-19 7.41275858899512e-19 7.444577816946359e-19 7.463307261797819e-19 7.46944359830604e-19 7.462778543508599e-19 7.441133137183259e-19 7.40155937432346e-19 7.3406125751661e-19 7.25403094986474e-19 7.1367195767232595e-19 6.9824459886354e-19 6.78356780305698e-19 6.530648199613739e-19 6.211991288877479e-19 5.8129371546471e-19 5.31507678739794e-19 4.694938299441899e-19 3.92246485712514e-19 2.9586434594097597e-19 1.7523646716711598e-19 2.3575228080993e-20 -1.68271805339118e-19 -4.12821638046342e-19 -7.279457493046319e-19 -1.143688155354756e-18 -1.7083849230678599e-18 -2.4914487529353597e-18 -3.580592406962219e-18 -5.1049673436151794e-18 -7.37028488642778e-18 -1.0944308369190599e-17 -1.67967391778658e-17 -2.71567337286366e-17 -4.811432562500039e-17 ] } }