{ "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" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 9.95678 9.289638 8.87617 8.575764 8.339681 8.145175 7.979772 7.835885 7.708556 7.594364 7.490849 7.396186 7.308978 7.228137 7.152795 7.082253 7.015934 6.953362 6.894136 6.837916 6.784412 6.733373 6.684582 6.63785 6.606036 6.572553 6.537216 6.499807 6.46007 6.417695 6.372305 6.32344 6.270522 6.212819 6.149377 6.078928 5.999729 5.909296 5.803905 5.677608 5.520006 5.31028 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.95678e-10 9.289638e-10 8.876170000000001e-10 8.575763999999999e-10 8.339681000000001e-10 8.145175e-10 7.979772e-10 7.835885e-10 7.708556e-10 7.594364e-10 7.490849e-10 7.396186e-10 7.308978000000001e-10 7.228137e-10 7.152795000000001e-10 7.082253e-10 7.015934e-10 6.953362e-10 6.894136e-10 6.837916e-10 6.784412e-10 6.733373e-10 6.684582e-10 6.63785e-10 6.606036e-10 6.572553e-10 6.537216e-10 6.499807e-10 6.46007e-10 6.417695e-10 6.372305e-10 6.32344e-10 6.270522e-10 6.212819e-10 6.149377e-10 6.078928e-10 5.999729e-10 5.909296e-10 5.803905000000001e-10 5.677608000000001e-10 5.520006e-10 5.31028e-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" [ 0.538111 0.611007 0.670816 0.707221 0.73129 0.750841 0.767852 0.78143 0.797198 0.833859 0.881539 0.932565 0.983111 1.03177 1.07836 1.12324 1.16688 1.20972 1.25105 1.28955 1.3253 1.35428 1.37233 1.37816 1.37615 1.3691 1.3544 1.32931 1.29175 1.24127 1.16587 1.03094 0.775761 0.297511 -0.57537 -2.12762 -4.83004 -9.46002 -7.89146 -2.29531 -2.69936 -3.345 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.621488635953088e-20 9.789411305451456e-20 1.0747657120585729e-19 1.1330929519387967e-19 1.171655741024832e-19 1.2029798961380928e-19 1.2302345226345216e-19 1.251988876791744e-19 1.2772519977485184e-19 1.3359893948436672e-19 1.4123811761234113e-19 1.494133840376352e-19 1.575117459851309e-19 1.6530777720428162e-19 1.727723180805888e-19 1.7996288675473922e-19 1.869547855279104e-19 1.938185101714176e-19 2.00440306145184e-19 2.06608686135264e-19 2.12336467554624e-19 2.169795754017024e-19 2.198715042022464e-19 2.2080557317217283e-19 2.20483535671392e-19 2.1935400115372803e-19 2.1699880152115203e-19 2.1297894037956482e-19 2.0696116499184e-19 1.9887337741004162e-19 1.867929656892096e-19 1.651747965447552e-19 1.2429061375284288e-19 4.7666516863082886e-20 -9.218443623096962e-20 -3.4088230219464957e-19 -7.738577165528833e-19 -1.5156622876300417e-18 -1.2643512715978369e-18 -3.6774920194884485e-19 -4.3248514831226884e-19 -5.359280796576e-19 ] } }