{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.0705 5.663754 5.411669 5.228516 5.08458 4.965993 4.865149 4.777423 4.699793 4.630172 4.567061 4.509346 4.456176 4.406889 4.360954 4.317945 4.277512 4.239363 4.203254 4.168977 4.136357 4.105239 4.075492 4.047 4.018196 3.988513 3.957896 3.926285 3.893612 3.859803 3.824778 3.788445 3.750702 3.711436 3.670519 3.627806 3.583131 3.536307 3.487114 3.435302 3.380576 3.322587 3.260922 3.195083 3.124465 3.048318 2.965702 2.875417 2.775889 2.66501 2.539853 2.396189 2.227579 2.0235 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.0705e-10 5.663754e-10 5.411669e-10 5.228516e-10 5.08458e-10 4.965993e-10 4.865149e-10 4.777423e-10 4.699792999999999e-10 4.630172e-10 4.567061e-10 4.509346e-10 4.456176e-10 4.4068889999999996e-10 4.3609540000000006e-10 4.317945e-10 4.277512e-10 4.239363e-10 4.203254e-10 4.168977e-10 4.1363570000000006e-10 4.1052390000000005e-10 4.075492e-10 4.047e-10 4.018196e-10 3.988513e-10 3.957896e-10 3.926285e-10 3.893612e-10 3.859803e-10 3.824778e-10 3.788445e-10 3.750702e-10 3.7114360000000003e-10 3.670519e-10 3.627806e-10 3.583131e-10 3.536307e-10 3.487114e-10 3.435302e-10 3.3805760000000003e-10 3.322587e-10 3.260922e-10 3.195083e-10 3.124465e-10 3.0483180000000003e-10 2.965702e-10 2.8754170000000005e-10 2.775889e-10 2.66501e-10 2.539853e-10 2.396189e-10 2.2275790000000002e-10 2.0235e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.35222 1.72304 1.98595 2.19165 2.36055 2.50318 2.62576 2.73234 2.82569 2.90781 2.9802 3.04401 3.10017 3.1494 3.19232 3.22942 3.26112 3.28779 3.30974 3.32724 3.34051 3.34978 3.35522 3.357 3.35508 3.34889 3.33768 3.32056 3.29648 3.26417 3.22211 3.16844 3.10093 3.01682 2.9127 2.78434 2.62642 2.43224 2.19316 1.89808 1.53239 1.07672 0.504883 -0.219091 -1.1457 -2.34841 -3.93888 -6.09331 -9.10202 -13.4661 -20.0988 -30.7732 -49.202 -83.9504 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.1664952880274798e-19 2.7606144274473597e-19 3.1818426862922997e-19 3.5114104199061e-19 3.7820180533887e-19 4.01053650669612e-19 4.20693131849184e-19 4.37769130414356e-19 4.527254492927459e-19 4.65882523811154e-19 4.774806804646799e-19 4.87704169566234e-19 4.967019935427779e-19 5.0458950911196e-19 5.11466051225088e-19 5.17410126537228e-19 5.22489026467008e-19 5.26762031549886e-19 5.30278809261516e-19 5.3308261837101595e-19 5.35208706764334e-19 5.36693924504052e-19 5.375655085929479e-19 5.378506960338e-19 5.375430781200719e-19 5.365513307836259e-19 5.34755290776912e-19 5.32012364379504e-19 5.28154323044832e-19 5.22977690340378e-19 5.16238935417774e-19 5.076400534230959e-19 4.96823758966962e-19 4.83347851298388e-19 4.6666598818518e-19 4.46100448911156e-19 4.2079887550702795e-19 3.89687809628016e-19 3.51382970662344e-19 3.0410594254627197e-19 2.45515945217526e-19 1.7250956253604797e-19 8.089117455038218e-20 -3.5102248091969396e-20 -1.8356137695737998e-19 -3.7625676290519395e-19 -6.31078150012992e-19 -9.762558905718538e-19 -1.4583043766200678e-18 -2.15750707711074e-18 -3.2201827731439197e-18 -4.93041019934088e-18 -7.883029474606799e-18 -1.345033692949536e-17 ] } }