{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 9.32568 8.700825 8.313565 8.0322 7.811081 7.628904 7.473984 7.339218 7.219959 7.113005 7.016052 6.927389 6.845709 6.769991 6.699425 6.633354 6.571239 6.512634 6.457162 6.404505 6.354392 6.306589 6.26089 6.21712 6.187322 6.155961 6.122864 6.087828 6.050609 6.01092 5.968407 5.922639 5.873076 5.81903 5.759609 5.693626 5.619448 5.534746 5.436036 5.317744 5.170132 4.9737 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.32568e-10 8.700825e-10 8.313565e-10 8.032199999999999e-10 7.811081e-10 7.628904000000001e-10 7.473984e-10 7.339218e-10 7.219959e-10 7.113005000000001e-10 7.016052e-10 6.927389e-10 6.845709e-10 6.769991000000001e-10 6.699425e-10 6.633354e-10 6.571239e-10 6.512634e-10 6.457162e-10 6.404505000000001e-10 6.354392e-10 6.306589e-10 6.26089e-10 6.21712e-10 6.187322e-10 6.155961e-10 6.122864000000001e-10 6.087828e-10 6.050609e-10 6.01092e-10 5.968407e-10 5.922639000000001e-10 5.873076000000001e-10 5.81903e-10 5.759609e-10 5.693626e-10 5.619448e-10 5.534746000000001e-10 5.436036e-10 5.317744000000001e-10 5.170131999999999e-10 4.9737e-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" [ 0.921148 1.31742 1.62823 1.88747 2.10917 2.30272 2.47354 2.62458 2.75856 2.87754 2.98312 3.07659 3.15957 3.23357 3.29825 3.35425 3.40212 3.44234 3.47566 3.50264 3.52314 3.53747 3.54588 3.54864 3.5473 3.54287 3.53465 3.52169 3.5028 3.47644 3.44053 3.39262 3.32882 3.24351 3.12887 2.97316 2.75993 2.45799 2.01502 1.33145 0.197035 -1.94175 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4758417898966783e-19 2.1107395237743362e-19 2.608712039285184e-19 3.0240603064613763e-19 3.3792628632927365e-19 3.6893641482485762e-19 3.963047958613632e-19 4.2050407154192643e-19 4.419700339074049e-19 4.610327313416832e-19 4.779485121040896e-19 4.929240569787072e-19 5.062189185781056e-19 5.180750255720256e-19 5.284379039553601e-19 5.3741009303184e-19 5.450797125156097e-19 5.515236668844672e-19 5.568621193849728e-19 5.611847919078912e-19 5.644692539805312e-19 5.667651730781377e-19 5.681126036162304e-19 5.685548043635712e-19 5.68340112696384e-19 5.676303484533697e-19 5.66313359271072e-19 5.642369383705153e-19 5.61210426733824e-19 5.5698708916139525e-19 5.512336729161024e-19 5.435576447258496e-19 5.333357578851456e-19 5.196675891331008e-19 5.013002363522497e-19 4.763527441897729e-19 4.421895321044544e-19 3.9381341121601925e-19 3.228417934444416e-19 2.1332180617641601e-19 3.15684870479328e-20 -3.1110264534384004e-19 ] } }