{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.98702 7.45186 7.120189 6.879213 6.689835 6.533808 6.401127 6.285706 6.183566 6.091965 6.008929 5.932993 5.863038 5.798189 5.737753 5.681166 5.627967 5.577774 5.530265 5.485167 5.442248 5.401306 5.362167 5.32468 5.299159 5.2723 5.243954 5.213946 5.18207 5.148078 5.111667 5.072469 5.03002 4.983732 4.93284 4.876328 4.812797 4.740254 4.655712 4.5544 4.427976 4.25974 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.987020000000001e-10 7.451860000000001e-10 7.120189e-10 6.879213e-10 6.689835000000001e-10 6.533808e-10 6.401127e-10 6.285706e-10 6.183566e-10 6.091965e-10 6.008929000000001e-10 5.932993e-10 5.863038000000001e-10 5.798189e-10 5.737753e-10 5.681166000000001e-10 5.627967e-10 5.577774e-10 5.530265e-10 5.485167e-10 5.442248e-10 5.401306000000001e-10 5.362167e-10 5.32468e-10 5.299159000000001e-10 5.2723e-10 5.243954e-10 5.213946e-10 5.182070000000001e-10 5.148078e-10 5.111667e-10 5.072469e-10 5.03002e-10 4.983732e-10 4.93284e-10 4.876328000000001e-10 4.812797e-10 4.740254e-10 4.6557120000000005e-10 4.5544000000000003e-10 4.427976e-10 4.25974e-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" [ 0.0582466 0.22357 0.385037 0.536661 0.671845 0.788553 0.887991 0.972515 1.04452 1.10606 1.15874 1.20379 1.24216 1.27458 1.30062 1.3204 1.33521 1.34621 1.35428 1.36007 1.36404 1.36653 1.36783 1.36821 1.36806 1.3676 1.36688 1.36594 1.36484 1.36364 1.36239 1.36102 1.35922 1.35626 1.35043 1.3357 1.30529 1.25033 1.15602 0.996545 0.72305 0.215529 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.33213407610893e-21 3.58198627112256e-20 6.168972795429696e-20 8.59825707495149e-20 1.0764143518013761e-19 1.2634011808617024e-19 1.4227184196808128e-19 1.5581407963773122e-19 1.6735055239580158e-19 1.772103473202048e-19 1.8565061375857924e-19 1.928684194352832e-19 1.990159711292928e-19 2.0421022773392642e-19 2.0838229565448962e-19 2.1155140101043202e-19 2.139242245858368e-19 2.156866188687168e-19 2.169795754017024e-19 2.179072356651456e-19 2.185432997836032e-19 2.189422417621824e-19 2.191505247228864e-19 2.192114074344768e-19 2.1918737478516483e-19 2.19113674660608e-19 2.1899831794391043e-19 2.188477133415552e-19 2.1867147391326724e-19 2.184792127187712e-19 2.1827894064117123e-19 2.1805944244412157e-19 2.1777105065237764e-19 2.172968063726208e-19 2.1636273740269443e-19 2.1400273124025603e-19 2.0913051213640323e-19 2.003249494284864e-19 1.8521482171772162e-19 1.596641100575136e-19 1.15845380566944e-19 3.453155249044032e-20 ] } }