{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Ti" ] } "a" { "source-value" [ 4.0338 3.76352 3.596012 3.474308 3.378664 3.299864 3.232854 3.174561 3.122976 3.076713 3.034776 2.996425 2.961094 2.928343 2.89782 2.869241 2.842373 2.817024 2.793029 2.770253 2.748577 2.727899 2.708133 2.6892 2.67006 2.650336 2.629991 2.608986 2.587275 2.564809 2.541535 2.517392 2.492312 2.466221 2.439032 2.410649 2.380963 2.349848 2.31716 2.282732 2.246366 2.207833 2.166857 2.123108 2.076183 2.025583 1.970686 1.910692 1.844557 1.770879 1.687713 1.592249 1.480209 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.0338000000000006e-10 3.76352e-10 3.596012e-10 3.474308e-10 3.3786640000000003e-10 3.299864e-10 3.232854e-10 3.174561e-10 3.122976e-10 3.076713e-10 3.034776e-10 2.996425e-10 2.9610940000000004e-10 2.928343e-10 2.8978199999999997e-10 2.8692410000000004e-10 2.842373e-10 2.817024e-10 2.7930290000000005e-10 2.7702529999999997e-10 2.748577e-10 2.727899e-10 2.7081330000000004e-10 2.6892e-10 2.67006e-10 2.6503359999999997e-10 2.629991e-10 2.6089859999999997e-10 2.587275e-10 2.564809e-10 2.5415350000000003e-10 2.517392e-10 2.492312e-10 2.466221e-10 2.4390320000000004e-10 2.410649e-10 2.380963e-10 2.3498480000000003e-10 2.31716e-10 2.2827320000000004e-10 2.2463660000000001e-10 2.207833e-10 2.1668569999999998e-10 2.1231080000000004e-10 2.076183e-10 2.0255830000000002e-10 1.970686e-10 1.9106920000000002e-10 1.844557e-10 1.770879e-10 1.687713e-10 1.592249e-10 1.4802090000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.71852 2.30098 2.64998 2.91117 3.13832 3.3528 3.55855 3.75063 3.92381 4.07742 4.21224 4.33077 4.43608 4.53063 4.61621 4.69411 4.76526 4.83019 4.88853 4.93911 4.98004 5.00892 5.02484 5.02939 5.02631 5.02185 5.02198 5.02543 5.02468 5.00839 4.96143 4.86476 4.69531 4.42677 4.03173 3.4871 2.78444 1.92895 0.886573 -0.517062 -2.7832 -7.12639 -16.2991 -36.387 -80.7749 -179.262 -400.201 -908.076 -2124.28 -5217.15 -13767.4 -40325.5 -138408 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.75337258906168e-19 3.68657639130132e-19 4.2457360365673194e-19 4.66420855160178e-19 5.02814297401488e-19 5.371777818475199e-19 5.701425660920699e-19 6.00917174877942e-19 6.28663669825554e-19 6.53274705100428e-19 6.74875250480016e-19 6.93865850122818e-19 7.107383722554719e-19 7.25886952329942e-19 7.395983799637139e-19 7.5207933594257395e-19 7.634788226934839e-19 7.73881755578046e-19 7.83228854060802e-19 7.91332663475574e-19 7.978903724385359e-19 8.025174585575279e-19 8.050681237588559e-19 8.0579711412732595e-19 8.053036437240539e-19 8.045890729452899e-19 8.04609901241532e-19 8.051626521802619e-19 8.0504248893271195e-19 8.02432543195926e-19 7.949087217226619e-19 7.79420480201784e-19 7.52271597138654e-19 7.09246745809218e-19 6.4595436005968185e-19 5.586950140421399e-19 4.46116470677496e-19 3.0905186181543e-19 1.420446544935282e-19 -8.28424654729308e-20 -4.4591780077488e-19 -1.1417735542771258e-18 -2.6114037175229397e-18 -5.8298401181357995e-18 -1.294156573936866e-17 -2.8720938776410797e-17 -6.41192691103434e-17 -1.454898149096184e-16 -3.40347178007352e-16 -8.358795826073099e-16 -2.20578065909316e-15 -6.4608573854366995e-15 -2.21754063558672e-14 ] } }