{ "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" [ 9.9576 9.290404 8.876903 8.576472 8.34037 8.145848 7.980431 7.836533 7.709193 7.594992 7.491469 7.396798 7.309583 7.228735 7.153387 7.082839 7.016515 6.953938 6.894707 6.838483 6.784974 6.733931 6.685136 6.6384 6.606583 6.573097 6.537757 6.500346 6.460606 6.418227 6.372833 6.323964 6.271042 6.213334 6.149886 6.079431 6.000226 5.909786 5.804386 5.678078 5.520463 5.31072 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.957599999999999e-10 9.290404000000001e-10 8.876903000000001e-10 8.576472000000001e-10 8.34037e-10 8.145848000000001e-10 7.980431e-10 7.836533000000001e-10 7.709193e-10 7.594992000000001e-10 7.491469000000001e-10 7.396798000000001e-10 7.309583e-10 7.228735000000001e-10 7.153387e-10 7.082839000000001e-10 7.016515e-10 6.953938e-10 6.894707e-10 6.838483e-10 6.784974e-10 6.733931e-10 6.685136e-10 6.638400000000001e-10 6.606582999999999e-10 6.573097e-10 6.537757000000001e-10 6.500346000000001e-10 6.460606e-10 6.418227e-10 6.372833e-10 6.323964e-10 6.271041999999999e-10 6.213334e-10 6.149886e-10 6.079431e-10 6.000226e-10 5.909786e-10 5.804386e-10 5.678078e-10 5.520463e-10 5.31072e-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" [ 0.538028 0.61089 0.670716 0.707143 0.731221 0.750767 0.767785 0.781375 0.79698 0.833568 0.881202 0.932181 0.982722 1.03139 1.07798 1.12285 1.16648 1.20932 1.25066 1.28916 1.32496 1.35403 1.37221 1.37816 1.37618 1.36922 1.35467 1.32974 1.29233 1.24199 1.16699 1.03287 0.77911 0.303082 -0.566544 -2.11377 -4.80902 -9.42989 -17.0227 -27.2215 -39.4109 -56.8839 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.620158829357824e-20 9.787536758805121e-20 1.0746054943964928e-19 1.1329679821623743e-19 1.1715451908379969e-19 1.2028613350681536e-19 1.2301271768009283e-19 1.2519007570776e-19 1.2769027232451842e-19 1.3355231614470145e-19 1.4118412426022018e-19 1.4935186045539649e-19 1.5744942131458175e-19 1.6524689449269122e-19 1.727114353689984e-19 1.79900401866528e-19 1.868906984630784e-19 1.937544231065856e-19 2.0037782125697283e-19 2.0654620124705281e-19 2.122819935495168e-19 2.169395209861824e-19 2.198522780827968e-19 2.2080557317217283e-19 2.204883422012544e-19 2.1937322727317763e-19 2.1704206028991364e-19 2.130478339742592e-19 2.070540912358464e-19 1.989887341267392e-19 1.869724094707392e-19 1.654840166325696e-19 1.248271827031488e-19 4.855908945853056e-20 -9.077035514545153e-20 -3.3866328757484166e-19 -7.704899412959617e-19 -1.5108349294715714e-18 -2.7273371962892162e-18 -4.36136508831072e-18 -6.314322258468672e-18 -9.113805467992512e-18 ] } }