{ "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" [ 10.4756 9.773699 9.33869 9.022632 8.774248 8.569609 8.395588 8.244204 8.110241 7.990099 7.881192 7.781596 7.689845 7.604791 7.525524 7.451307 7.381533 7.315701 7.253389 7.19424 7.137948 7.08425 7.032917 6.98375 6.934044 6.882821 6.829987 6.775436 6.719053 6.660712 6.60027 6.537571 6.47244 6.40468 6.334071 6.260362 6.183269 6.102465 6.017576 5.928166 5.833726 5.733656 5.627244 5.513628 5.391765 5.260361 5.117794 4.961992 4.790241 4.598901 4.382922 4.135006 3.844041 3.49187 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.04756e-09 9.773699e-10 9.33869e-10 9.022632e-10 8.774248e-10 8.569609e-10 8.395588000000001e-10 8.244204000000001e-10 8.110241e-10 7.990099e-10 7.881192000000001e-10 7.781596000000001e-10 7.689845000000001e-10 7.604791e-10 7.525524e-10 7.451307e-10 7.381533e-10 7.315701e-10 7.253389000000001e-10 7.19424e-10 7.137948e-10 7.084250000000001e-10 7.032917000000001e-10 6.98375e-10 6.934044000000001e-10 6.882821e-10 6.829987e-10 6.775436e-10 6.719053e-10 6.660712e-10 6.60027e-10 6.537571e-10 6.47244e-10 6.40468e-10 6.334071e-10 6.260362e-10 6.183269e-10 6.102465e-10 6.017576000000001e-10 5.928166e-10 5.833726e-10 5.733656e-10 5.627244000000001e-10 5.513628e-10 5.391765e-10 5.260361e-10 5.117794e-10 4.961992000000001e-10 4.790241e-10 4.598901e-10 4.3829219999999997e-10 4.135006e-10 3.844041e-10 3.4918700000000004e-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" [ 0.0887805 0.186376 0.264687 0.329765 0.385025 0.432607 0.473989 0.510155 0.541898 0.56981 0.594362 0.615929 0.634821 0.651298 0.665575 0.677839 0.68825 0.696948 0.704054 0.711879 0.717146 0.720094 0.721808 0.722365 0.721768 0.719842 0.716357 0.711042 0.703573 0.693567 0.68056 0.663996 0.643202 0.617354 0.585446 0.546231 0.498157 0.439274 0.367112 0.278492 0.16924 0.0337853 -0.135379 -0.34849 -0.619618 -0.968297 -1.42178 -2.01822 -2.81086 -3.87368 -5.30995 -7.27795 -10.1286 -15.2347 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.42242042654837e-20 2.9860727233838394e-20 4.2407532672355796e-20 5.2834177771100994e-20 6.168780585058499e-20 6.931128271048379e-20 7.59414100573026e-20 8.1735842071827e-20 8.682163136113319e-20 9.1293626781954e-20 9.522729085375078e-20 9.868270520029858e-20 1.0170953729725139e-19 1.043494437370932e-19 1.06636871317455e-19 1.0860178074139259e-19 1.1026980683505e-19 1.1166338007130318e-19 1.1280188678742358e-19 1.140555900035286e-19 1.148994564366564e-19 1.153717781083596e-19 1.1564639118342718e-19 1.15735632421941e-19 1.1563998247689119e-19 1.153314032571828e-19 1.147730447002338e-19 1.1392148781926278e-19 1.127248220913282e-19 1.111216841513478e-19 1.09037733003504e-19 1.0638388762694639e-19 1.030523215342068e-19 9.891101537064359e-20 9.37987901668764e-20 8.751585449664539e-20 7.98135505463538e-20 7.037945387237159e-20 5.88178268461008e-20 4.46193375155928e-20 2.7115237353816e-20 5.4130018232680195e-21 -2.16901070534286e-20 -5.5834253518266e-20 -9.92737481605812e-20 -1.551382828172298e-19 -2.27794269468852e-19 -3.2335449262714797e-19 -4.503494213445239e-19 -6.20631958359312e-19 -8.507477817708299e-19 -1.1660561433420298e-18 -1.6227806255132399e-18 -2.44086803659998e-18 ] } }