{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.17563 7.627833 7.28833 7.041663 6.847812 6.688101 6.552287 6.43414 6.329588 6.235824 6.150827 6.073098 6.001491 5.935111 5.873247 5.815324 5.760869 5.709491 5.66086 5.614697 5.570764 5.528855 5.488793 5.45042 5.411627 5.371651 5.330417 5.287843 5.24384 5.198307 5.151136 5.102203 5.051372 4.99849 4.943383 4.885858 4.825691 4.762628 4.696377 4.626598 4.552893 4.474794 4.391745 4.303075 4.207968 4.105415 3.99415 3.872555 3.738513 3.589184 3.420624 3.22714 3.000059 2.72521 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.17563e-10 7.627833e-10 7.288330000000001e-10 7.041663e-10 6.847812000000001e-10 6.688101e-10 6.552287e-10 6.434140000000001e-10 6.329588000000001e-10 6.235824000000001e-10 6.150826999999999e-10 6.073098e-10 6.001491e-10 5.935111e-10 5.873247e-10 5.815324000000001e-10 5.760869e-10 5.709491e-10 5.66086e-10 5.614696999999999e-10 5.570764e-10 5.528855000000001e-10 5.488793000000001e-10 5.45042e-10 5.411627000000001e-10 5.371651e-10 5.330417e-10 5.287842999999999e-10 5.243839999999999e-10 5.198307e-10 5.151136e-10 5.102203e-10 5.051372e-10 4.998490000000001e-10 4.943383e-10 4.885858e-10 4.825691e-10 4.762628e-10 4.696377e-10 4.6265980000000007e-10 4.552893e-10 4.4747940000000006e-10 4.3917450000000003e-10 4.303075e-10 4.2079680000000005e-10 4.1054149999999997e-10 3.99415e-10 3.8725550000000003e-10 3.7385130000000006e-10 3.589184e-10 3.4206240000000005e-10 3.22714e-10 3.000059e-10 2.72521e-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 1.02105 1.23843 1.41394 1.56055 1.68549 1.79334 1.88718 1.96926 2.04124 2.10442 2.15984 2.20832 2.25057 2.28715 2.31856 2.34521 2.36746 2.38565 2.40004 2.41087 2.41838 2.42276 2.42418 2.42266 2.41774 2.40884 2.39527 2.37619 2.35063 2.31741 2.27509 2.22196 2.1559 2.46041 2.3833 2.28588 2.1635 2.01025 1.81849 1.57831 1.27662 0.895925 0.412406 0.14162 -0.597299 -1.56627 -2.85642 -4.60686 -7.03801 -10.2533 -15.2494 -22.005 -31.2755 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 1.6359024521457e-19 1.9841836088446197e-19 2.2653816298779597e-19 2.5002767461887e-19 2.70045269484066e-19 2.8732474448175596e-19 3.02359570015212e-19 3.1551023582708398e-19 3.27042703238616e-19 3.3716525521222803e-19 3.4604451811785596e-19 3.53811870439488e-19 3.60581066718138e-19 3.6644182884531e-19 3.71474265652704e-19 3.7574406638231396e-19 3.7930890939296394e-19 3.8222326869021e-19 3.84528800866536e-19 3.86263958161158e-19 3.8746719281329197e-19 3.8816894617898396e-19 3.8839645526101194e-19 3.88152924412644e-19 3.8736465350871594e-19 3.85938716304456e-19 3.8376456261211796e-19 3.8070760959444594e-19 3.76612446117942e-19 3.7129001533979403e-19 3.64509603824706e-19 3.55997239368264e-19 3.4541326052405996e-19 3.9420114120599397e-19 3.8184675718122e-19 3.66238352412792e-19 3.4663091476589997e-19 3.2207755784985e-19 2.91354218716266e-19 2.52873140320854e-19 2.04537073449708e-19 1.43543010081645e-19 6.60747256921404e-20 2.2690025490707998e-20 -9.569785013115659e-20 -2.5094411965351797e-19 -4.576489380890279e-19 -7.38100344810924e-19 -1.1276135171858339e-18 -1.6427597681392198e-18 -2.44322323625196e-18 -3.525589683117e-18 -5.0108875316667e-18 ] } }