{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.13171 8.519852 8.140647 7.865135 7.648615 7.470228 7.318531 7.186568 7.06979 6.96506 6.870124 6.783305 6.703324 6.629181 6.560083 6.495386 6.434563 6.377177 6.322859 6.271298 6.222227 6.175418 6.13067 6.08781 6.058632 6.027923 5.995515 5.961206 5.924762 5.885898 5.84427 5.799454 5.750921 5.697999 5.639815 5.575203 5.502568 5.419628 5.32297 5.207139 5.062597 4.87025 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.131710000000001e-10 8.519852000000001e-10 8.140647e-10 7.865135000000001e-10 7.648615e-10 7.470228e-10 7.318531000000001e-10 7.186568000000001e-10 7.069790000000001e-10 6.965060000000001e-10 6.870124e-10 6.783305e-10 6.703324e-10 6.629181e-10 6.560083e-10 6.495386e-10 6.434563e-10 6.377177e-10 6.322859e-10 6.271298e-10 6.222227000000001e-10 6.175418e-10 6.13067e-10 6.08781e-10 6.058632e-10 6.027923000000001e-10 5.995515e-10 5.961206e-10 5.924762e-10 5.885898000000001e-10 5.84427e-10 5.799454e-10 5.750921e-10 5.697999e-10 5.639815e-10 5.575203e-10 5.502568e-10 5.419628e-10 5.32297e-10 5.207139e-10 5.062597000000001e-10 4.870250000000001e-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" [ 0.566387 0.887451 1.17882 1.40482 1.58332 1.74898 1.90279 2.03592 2.14783 2.24007 2.31677 2.38127 2.43605 2.48374 2.52682 2.56707 2.60571 2.64351 2.68032 2.71533 2.74795 2.77756 2.79385 2.79459 2.79415 2.79253 2.78932 2.78402 2.77605 2.76478 2.74937 2.7287 2.70133 2.66534 2.61784 2.55459 2.47001 2.35548 2.19592 1.95847 1.56766 0.840851 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.074520097250497e-20 1.4218532443055808e-19 1.888677844131456e-19 2.250769760432256e-19 2.536758287245056e-19 2.802174866246784e-19 3.048605652292032e-19 3.261903425819136e-19 3.441203011452864e-19 3.588987782955456e-19 3.711874729770816e-19 3.8152151218124165e-19 3.90298235709984e-19 3.9793901601457924e-19 4.048411928969856e-19 4.1128995379570563e-19 4.1748076425847684e-19 4.235369918851008e-19 4.2943460402626565e-19 4.3504382437568635e-19 4.40270124512736e-19 4.450141694869248e-19 4.47624115202208e-19 4.477426762721473e-19 4.47672180500832e-19 4.474126278882625e-19 4.468983291929856e-19 4.460491755839616e-19 4.44772240817184e-19 4.429665877655424e-19 4.404976335928896e-19 4.37185934517696e-19 4.3280077710656643e-19 4.2703454344830723e-19 4.1942420449950723e-19 4.0929043737294723e-19 3.957392275142208e-19 3.773894986761984e-19 3.5182516851471364e-19 3.1378148465381763e-19 2.511668201363328e-19 1.347191813776301e-19 ] } }