{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 9.21679 8.599232 8.216494 7.938414 7.719877 7.539828 7.386718 7.253525 7.135659 7.029954 6.934133 6.846505 6.765778 6.690945 6.621203 6.555904 6.494514 6.436593 6.381769 6.329727 6.280199 6.232954 6.187789 6.14453 6.100797 6.055729 6.009244 5.961248 5.911641 5.86031 5.807131 5.751967 5.694663 5.635046 5.572921 5.50807 5.440241 5.369147 5.294458 5.215792 5.132701 5.044657 4.951031 4.851069 4.74385 4.628236 4.502801 4.365721 4.214609 4.046262 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.21679e-10 8.599232000000001e-10 8.216494000000001e-10 7.938414000000001e-10 7.719877e-10 7.539828e-10 7.386718e-10 7.253525000000001e-10 7.135659000000001e-10 7.029954e-10 6.934133e-10 6.846505e-10 6.765778000000001e-10 6.690945e-10 6.621203000000001e-10 6.555904e-10 6.494514e-10 6.436593e-10 6.381769e-10 6.329727000000001e-10 6.280198999999999e-10 6.232954000000001e-10 6.187789000000001e-10 6.14453e-10 6.100797e-10 6.055729000000001e-10 6.009244e-10 5.961248000000001e-10 5.911641e-10 5.86031e-10 5.807131e-10 5.751967e-10 5.694663000000001e-10 5.635046e-10 5.572921e-10 5.508070000000001e-10 5.440241e-10 5.369147e-10 5.294458e-10 5.215792e-10 5.132701000000001e-10 5.044657e-10 4.951031e-10 4.851069e-10 4.74385e-10 4.628236e-10 4.502801e-10 4.3657209999999997e-10 4.2146090000000004e-10 4.0462619999999995e-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" [ 0.366211 0.595043 0.793609 0.968645 1.12598 1.26874 1.398 1.51485 1.62059 1.7164 1.8032 1.88168 1.95235 2.01559 2.07171 2.12101 2.16376 2.20019 2.23053 2.25498 2.27372 2.28692 2.29473 2.2973 2.29449 2.28529 2.2684 2.24222 2.20483 2.15385 2.08636 1.99872 1.8864 1.74367 1.5633 1.33614 1.05044 0.691005 0.237952 -0.335086 -1.0637 -1.9966 -3.20147 -4.77386 -6.85171 -9.63917 -13.4471 -18.7639 -26.3869 -37.6818 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.86734707313774e-20 9.533639908252619e-20 1.271501796332106e-19 1.5519403856409298e-19 1.80401884635132e-19 2.0327455826211599e-19 2.2398429343319997e-19 2.4270572740149e-19 2.59647143129406e-19 2.7499759745975996e-19 2.8890449064288e-19 3.0147837286651197e-19 3.1280095513899e-19 3.2293312017240597e-19 3.3192453544241395e-19 3.39823266248034e-19 3.46672571358384e-19 3.5250930083604597e-19 3.5737030474360197e-19 3.61287626613732e-19 3.64290105625848e-19 3.6640497878272795e-19 3.6765627873388196e-19 3.6806803812881995e-19 3.67617826494666e-19 3.6614382399138593e-19 3.6343774765656e-19 3.5924324922874798e-19 3.5325271079422197e-19 3.4508481431408994e-19 3.3427172421122397e-19 3.20230248190848e-19 3.0223460023776e-19 2.7936673314067797e-19 2.5046827319321996e-19 2.14073228775276e-19 1.68299042341896e-19 1.1071120649771699e-19 3.8124113441356795e-20 -5.3686695958052394e-20 -1.7042352855858e-19 -3.1989058674444e-19 -5.12932042845198e-19 -7.64856694598724e-19 -1.097764966494414e-18 -1.544365294515378e-18 -2.15446294150614e-18 -3.00630821427126e-18 -4.22764746236946e-18 -6.03728994870612e-18 ] } }