{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.1465 7.600654 7.262361 7.016573 6.823413 6.664272 6.528941 6.411215 6.307036 6.213606 6.128912 6.051459 5.980107 5.913964 5.852321 5.794604 5.740343 5.689148 5.64069 5.594691 5.550915 5.509156 5.469236 5.431 5.392345 5.352512 5.311424 5.269002 5.225156 5.179785 5.132782 5.084024 5.033374 4.98068 4.92577 4.868449 4.808497 4.745659 4.679644 4.610113 4.536671 4.45885 4.376097 4.287743 4.192975 4.090787 3.979918 3.858757 3.725193 3.576395 3.408437 3.215642 2.98937 2.7155 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.1465e-10 7.600654e-10 7.262361000000001e-10 7.016573e-10 6.823413e-10 6.664272000000001e-10 6.528941e-10 6.411215e-10 6.307036e-10 6.213606000000001e-10 6.128912e-10 6.051459000000001e-10 5.980107e-10 5.913964e-10 5.852321e-10 5.794604e-10 5.740343000000001e-10 5.689148e-10 5.640690000000001e-10 5.594691000000001e-10 5.550915e-10 5.509156e-10 5.469236e-10 5.431e-10 5.392345e-10 5.352512000000001e-10 5.311424e-10 5.269002000000001e-10 5.225156e-10 5.179785e-10 5.132782e-10 5.084024000000001e-10 5.033374e-10 4.980680000000001e-10 4.92577e-10 4.868449000000001e-10 4.808497000000001e-10 4.745659e-10 4.679644e-10 4.6101130000000005e-10 4.5366710000000005e-10 4.45885e-10 4.376097e-10 4.287743e-10 4.1929749999999997e-10 4.090787e-10 3.9799180000000004e-10 3.8587570000000004e-10 3.725193e-10 3.576395e-10 3.408437e-10 3.215642e-10 2.9893700000000003e-10 2.7155e-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" [ 1.61456 2.13323 2.5179 2.82687 3.08478 3.30489 3.49533 3.66155 3.80741 3.93577 4.04885 4.14838 4.23578 4.31219 4.37858 4.43577 4.48446 4.52525 4.55869 4.58522 4.60527 4.6192 4.62735 4.63 4.62714 4.61783 4.60083 4.57468 4.53758 4.48736 4.42139 4.33644 4.22855 4.09278 3.923 3.71148 3.44844 3.12135 2.71403 2.20535 1.56733 0.762474 -0.260241 -1.57153 -3.27126 -5.50371 -8.48274 -12.535 -18.1779 -26.2666 -38.2906 -57.0228 -88.0844 -144.268 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.58681030619104e-19 3.41781126094782e-19 4.0341205467485996e-19 4.52914506135558e-19 4.942362437030519e-19 5.29501753594026e-19 5.60013605411922e-19 5.866449854222699e-19 6.100143338057939e-19 6.30579873079818e-19 6.486972864570899e-19 6.64643750495292e-19 6.78646774276452e-19 6.90889005936846e-19 7.01525856609972e-19 7.106887047798179e-19 7.18489702810764e-19 7.250249813008499e-19 7.30382659964946e-19 7.346332345749479e-19 7.378455987261179e-19 7.400774307772799e-19 7.4138320473399e-19 7.418077815419999e-19 7.413495590246759e-19 7.398579325784219e-19 7.37134232300622e-19 7.329445404027119e-19 7.27000465090572e-19 7.189543340346239e-19 7.083847747801259e-19 6.947742842742959e-19 6.7748840057007e-19 6.55735648410252e-19 6.285338935182e-19 5.946446533558319e-19 5.52500999175096e-19 5.0009540365359e-19 4.34835544997502e-19 3.5333602397919e-19 2.5111395037672195e-19 1.221618026832516e-19 -4.1695204940879395e-20 -2.51786864563002e-19 -5.24113633573884e-19 -8.81791556231214e-19 -1.359084782029716e-18 -2.008328410719e-18 -2.9124206635188598e-18 -4.20837327746244e-18 -6.134830462184039e-18 -9.136059776525518e-18 -1.4112676749990958e-17 -2.3114281863391197e-17 ] } }