{ "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" [ "B" "B" "B" "B" ] } "a" { "source-value" [ 3.14495 2.934226 2.803628 2.708741 2.634172 2.572735 2.520491 2.475042 2.434824 2.398755 2.366059 2.336159 2.308613 2.283078 2.259281 2.236999 2.216052 2.196288 2.177581 2.159823 2.142923 2.126802 2.111391 2.09663 2.086581 2.076005 2.064843 2.053028 2.040476 2.027091 2.012754 1.99732 1.980605 1.962378 1.94234 1.920087 1.895071 1.866507 1.833218 1.793325 1.743545 1.6773 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.14495e-10 2.934226e-10 2.8036279999999996e-10 2.708741e-10 2.634172e-10 2.572735e-10 2.520491e-10 2.475042e-10 2.434824e-10 2.398755e-10 2.366059e-10 2.336159e-10 2.308613e-10 2.2830780000000003e-10 2.2592810000000003e-10 2.236999e-10 2.216052e-10 2.196288e-10 2.177581e-10 2.159823e-10 2.1429230000000003e-10 2.1268020000000002e-10 2.1113909999999998e-10 2.0966300000000003e-10 2.086581e-10 2.076005e-10 2.0648430000000002e-10 2.053028e-10 2.040476e-10 2.0270910000000001e-10 2.0127540000000003e-10 1.99732e-10 1.980605e-10 1.962378e-10 1.94234e-10 1.9200870000000002e-10 1.895071e-10 1.8665069999999999e-10 1.833218e-10 1.793325e-10 1.7435449999999998e-10 1.6773e-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" [ 0 0.0447553 0.760942 0.866792 0.926618 0.985753 1.03816 1.08531 1.12822 1.16764 1.20411 1.23806 1.26982 1.29966 1.32781 1.35444 1.37972 1.40376 1.42668 1.44859 1.46955 1.48965 1.50895 1.52538 1.50616 1.44394 1.33188 1.16412 0.937179 0.651685 0.313402 -0.066377 -0.471043 -0.878072 -1.25684 -1.56364 -1.73678 -1.86504 -2.02512 -2.23312 -2.51962 -4.63946 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 7.17058959076602e-21 1.219163492229228e-19 1.3887538889381279e-19 1.484605708243812e-19 1.579350423495402e-19 1.6633156943534398e-19 1.73885832264654e-19 1.8076077220114798e-19 1.87076552492376e-19 1.9291969067657398e-19 1.9835908034900397e-19 2.0344759333858798e-19 2.0822848841444398e-19 2.1273861563915398e-19 2.17005212015496e-19 2.2105551454624797e-19 2.2490714717438397e-19 2.2857933601951197e-19 2.32089705024606e-19 2.3544786724946996e-19 2.3866824228381e-19 2.4176044318743e-19 2.44392819397092e-19 2.4131343590654397e-19 2.31344692889796e-19 2.1339070152919197e-19 1.86512586317208e-19 1.501526295675486e-19 1.0441144797282899e-19 5.02125361448868e-20 -1.06347678435018e-20 -7.54694088209262e-20 -1.406826441369648e-19 -2.0136796806765598e-19 -2.5052274719877597e-19 -2.78262833439852e-19 -2.98812350947536e-19 -3.2445999450460794e-19 -3.57785268491808e-19 -4.03687629055908e-19 -7.433234406377639e-19 ] } }