{ "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" [ 8.11206 7.568522 7.231659 6.98691 6.794567 6.636098 6.501339 6.384111 6.280372 6.187337 6.103001 6.025876 5.954826 5.888962 5.827579 5.770107 5.716075 5.665096 5.616843 5.571039 5.527448 5.485865 5.446114 5.40804 5.369549 5.329883 5.28897 5.246727 5.203066 5.157888 5.111083 5.062531 5.012095 4.959624 4.904946 4.847868 4.788169 4.725596 4.65986 4.590623 4.517491 4.44 4.357597 4.269617 4.175249 4.073493 3.963093 3.842443 3.709444 3.561276 3.394027 3.202047 2.976732 2.70402 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.11206e-10 7.568522e-10 7.231659e-10 6.98691e-10 6.794567e-10 6.636098e-10 6.501339e-10 6.384111e-10 6.280372e-10 6.187337e-10 6.103001e-10 6.025876e-10 5.954826e-10 5.888962e-10 5.827579e-10 5.770107000000001e-10 5.716075e-10 5.665096e-10 5.616843000000001e-10 5.571039e-10 5.527448e-10 5.485865000000001e-10 5.446114e-10 5.40804e-10 5.369549e-10 5.329883e-10 5.28897e-10 5.246727e-10 5.203066e-10 5.157888e-10 5.111083e-10 5.062531e-10 5.012095e-10 4.959624e-10 4.904946e-10 4.847868000000001e-10 4.788169000000001e-10 4.725596e-10 4.65986e-10 4.590623e-10 4.517491e-10 4.4400000000000007e-10 4.357597e-10 4.269617e-10 4.1752490000000003e-10 4.0734930000000003e-10 3.9630930000000003e-10 3.842443e-10 3.709444e-10 3.561276e-10 3.394027e-10 3.202047e-10 2.976732e-10 2.70402e-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" [ 0.952618 1.18119 1.35655 1.51193 1.63537 1.73403 1.82046 1.8979 1.96648 2.02534 2.07455 2.11472 2.14668 2.1714 2.19006 2.20411 2.21515 2.22421 2.23168 2.23768 2.24224 2.24539 2.24721 2.24779 2.24719 2.24532 2.24208 2.23736 2.23114 2.22345 2.21441 2.2042 2.19278 2.17939 2.16162 2.13413 2.08806 2.00949 1.87385 1.64025 1.31349 0.873578 0.280366 -0.517622 -1.60204 -3.11076 -5.28514 -8.54249 -13.6641 -22.2242 -37.9537 -71.8393 -164.827 -540.449 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.526262300727812e-19 1.8924750183144598e-19 2.1734327128526996e-19 2.42237891824362e-19 2.6201516019445797e-19 2.77822234865502e-19 2.9166984751316397e-19 3.0407710336685995e-19 3.15064830722832e-19 3.24495242390556e-19 3.3237955360646995e-19 3.38815497145248e-19 3.4393605366751196e-19 3.4789663430676e-19 3.5088629590580394e-19 3.53137354076574e-19 3.5490615708050997e-19 3.5635772911091393e-19 3.5755455505651194e-19 3.58515861036912e-19 3.5924645358201596e-19 3.59751139221726e-19 3.6004273536911397e-19 3.60135661613886e-19 3.6003953101584594e-19 3.59739923985288e-19 3.59220818755872e-19 3.5846459138462394e-19 3.5746803751827598e-19 3.5623596368673e-19 3.5478759600959396e-19 3.5315177366628e-19 3.5132208795025198e-19 3.49176773437326e-19 3.4632970555870798e-19 3.4192532199184198e-19 3.34544094239004e-19 3.21955792425666e-19 3.0022386856208997e-19 2.6279702239185e-19 2.10444298699266e-19 1.399626259576452e-19 4.49195854168044e-20 -8.29321873644348e-20 -2.56675105473336e-19 -4.98398698598184e-19 -8.46772781541876e-19 -1.368657787417866e-18 -2.18923017446394e-18 -3.56070939493428e-18 -6.080853131384579e-18 -1.1509924786291619e-17 -2.6408196805231796e-17 -8.658947596686659e-17 ] } }