{ "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" [ "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" ] } "a" { "source-value" [ 12.8578 11.996285 11.462352 11.074421 10.769555 10.518379 10.304785 10.118976 9.954549 9.807087 9.673413 9.551169 9.438553 9.334158 9.236866 9.145771 9.06013 8.979328 8.902846 8.830246 8.761153 8.695244 8.632238 8.57189 8.51088 8.448009 8.38316 8.316204 8.247 8.175391 8.101204 8.024248 7.944305 7.861137 7.774471 7.684001 7.589376 7.490197 7.386003 7.276261 7.160345 7.037519 6.906908 6.767456 6.61788 6.456594 6.281607 6.090374 5.879567 5.644715 5.379621 5.075328 4.718196 4.28594 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.2857799999999999e-09 1.1996285e-09 1.1462351999999999e-09 1.1074421e-09 1.0769555e-09 1.0518379e-09 1.0304785e-09 1.0118976e-09 9.954549e-10 9.807087e-10 9.673413e-10 9.551169e-10 9.438553e-10 9.334158e-10 9.236866e-10 9.145771000000001e-10 9.06013e-10 8.979328000000001e-10 8.902846000000001e-10 8.830246000000001e-10 8.761153e-10 8.695244000000001e-10 8.632237999999999e-10 8.57189e-10 8.510880000000001e-10 8.448009000000001e-10 8.38316e-10 8.316204000000001e-10 8.247000000000001e-10 8.175391e-10 8.101203999999999e-10 8.024248e-10 7.944305000000001e-10 7.861137e-10 7.774471e-10 7.684001000000001e-10 7.589376e-10 7.490197000000001e-10 7.386003e-10 7.276261e-10 7.160345e-10 7.037519e-10 6.906908e-10 6.767456e-10 6.61788e-10 6.456594e-10 6.281607e-10 6.090374e-10 5.879567e-10 5.644715e-10 5.379621e-10 5.075328e-10 4.718196e-10 4.28594e-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" [ 0.00317298 0.00505304 0.00675951 0.00837903 0.00991465 0.01137 0.0127478 0.0140535 0.0152972 0.0164765 0.0175892 0.0186328 0.0196053 0.0205045 0.0213284 0.0220747 0.0227414 0.0233264 0.0238275 0.0242425 0.0245692 0.0248053 0.0249487 0.024997 0.0249424 0.0247599 0.0244165 0.0238688 0.0230617 0.0219243 0.0203648 0.0182633 0.0154618 0.0117507 0.00684846 0.000376989 -0.00818802 -0.0195808 -0.034844 -0.055484 -0.0837234 -0.122916 -0.178253 -0.257998 -0.375816 -0.55523 -0.838656 -1.30717 -2.12689 -3.66894 -6.85975 -14.3772 -35.7019 -116.138 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.08367441614932e-22 8.09586261866736e-22 1.0829928979289339e-21 1.342468608158502e-21 1.58850205642881e-21 1.821674832858e-21 2.0424227294905198e-21 2.2516189325918998e-21 2.4508816405624797e-21 2.6398263310101e-21 2.8181005250752796e-21 2.98530367859952e-21 3.1411153562560196e-21 3.2851830791852997e-21 3.41718641206056e-21 3.53675685425598e-21 3.6435739704447595e-21 3.73730130353376e-21 3.8175863746635e-21 3.8840767049744995e-21 3.936419815607279e-21 3.9742472059360195e-21 3.99722241886758e-21 4.004960932009799e-21 3.9962130475881596e-21 3.96697332401766e-21 3.9119545784061e-21 3.8242033641619195e-21 3.6948916880317796e-21 3.51266011768062e-21 3.2628006716083195e-21 2.9261032519732197e-21 2.47725346795812e-21 1.8826696973143796e-21 1.097244259088364e-21 6.040029670750259e-23 -1.311865432272468e-21 -3.1371900235027195e-21 -5.5826242635095995e-21 -8.8895168360856e-21 -1.341396751990356e-20 -1.96933143144744e-20 -2.8559279154040195e-20 -4.13358367218732e-20 -6.02123613883344e-20 -8.895765324958199e-20 -1.3436750471639037e-19 -2.0943172306657799e-19 -3.4076534610882595e-19 -5.87828993954796e-19 -1.09905311650815e-18 -2.30348139023448e-18 -5.72007499694046e-18 -1.8607358991949198e-17 ] } }