{ "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" [ 8.80602 8.215984 7.850303 7.584617 7.37582 7.203794 7.057508 6.930251 6.817638 6.716643 6.625093 6.54137 6.464241 6.392743 6.32611 6.26372 6.205067 6.149727 6.097346 6.047623 6.000303 5.955163 5.912011 5.87068 5.842543 5.812929 5.781676 5.748591 5.713447 5.675969 5.635825 5.592607 5.545805 5.494771 5.438661 5.376354 5.306308 5.226326 5.133115 5.021415 4.882027 4.69654 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.806020000000001e-10 8.215984e-10 7.850303e-10 7.584617e-10 7.375820000000001e-10 7.203794000000001e-10 7.057508e-10 6.930251e-10 6.817638e-10 6.716643000000001e-10 6.625093e-10 6.54137e-10 6.464241000000001e-10 6.392743e-10 6.326110000000001e-10 6.26372e-10 6.205066999999999e-10 6.149727e-10 6.097346e-10 6.047623e-10 6.000303e-10 5.955163e-10 5.912011e-10 5.87068e-10 5.842543e-10 5.812929e-10 5.781676e-10 5.748591e-10 5.713447000000001e-10 5.675969e-10 5.635825e-10 5.592607e-10 5.545805e-10 5.494771000000001e-10 5.438661e-10 5.376354e-10 5.306308e-10 5.226326000000001e-10 5.133115e-10 5.021415e-10 4.882027e-10 4.69654e-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" [ 1.02298 1.53339 1.98197 2.39311 2.77741 3.1374 3.47701 3.79624 4.0961 4.3772 4.64015 4.88548 5.11251 5.32115 5.51202 5.68482 5.83854 5.97289 6.0875 6.18202 6.25603 6.30913 6.34183 6.35287 6.34731 6.3286 6.29299 6.2355 6.14981 6.02671 5.85354 5.6126 5.27827 4.81251 4.15695 3.21892 1.84217 -0.249234 -3.58721 -9.3072 -20.2089 -45.0358 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.638994639545984e-19 2.456761608568512e-19 3.175465997126976e-19 3.8341848930026883e-19 4.449901368376129e-19 5.02666893009792e-19 5.570784132287808e-19 6.082246974945792e-19 6.56267565645888e-19 7.01304750456576e-19 7.434339847005121e-19 7.8274018373859845e-19 8.191143995606209e-19 8.525422125769921e-19 8.831229577382017e-19 9.108085697456257e-19 9.354372287605634e-19 9.569624716610111e-19 9.753250179120002e-19 9.904687913318016e-19 1.0023265005023424e-18 1.0108340583587904e-18 1.0160731759088064e-18 1.0178419788981697e-18 1.0169511686970049e-18 1.013953496239488e-18 1.0082481452928193e-18 9.990372318998401e-19 9.85308180436205e-19 9.655853862341567e-19 9.378404936917632e-19 8.99237650190208e-19 8.456720792270016e-19 7.710491009366208e-19 6.660168103834561e-19 5.1572783682255355e-19 2.9514817055391363e-19 -3.9931688790846726e-20 -5.747343995899968e-19 -1.4911778245109762e-18 -3.237822711208512e-18 -7.215530585902464e-18 ] } }