{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 7.78761 7.265811 6.942421 6.707461 6.522811 6.37068 6.241312 6.128772 6.029183 5.939868 5.858906 5.784865 5.716657 5.653427 5.5945 5.539325 5.487455 5.438515 5.392192 5.34822 5.306372 5.266453 5.228291 5.19174 5.154788 5.116709 5.077432 5.036879 4.994964 4.951593 4.90666 4.86005 4.811631 4.761259 4.708768 4.653972 4.596661 4.536591 4.473484 4.407017 4.33681 4.262418 4.183311 4.098849 4.008255 3.910569 3.804585 3.688761 3.561081 3.418839 3.25828 3.073978 2.857675 2.59587 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.78761e-10 7.265811e-10 6.942421e-10 6.707461000000001e-10 6.522811e-10 6.37068e-10 6.241312e-10 6.128772e-10 6.029183e-10 5.939867999999999e-10 5.858906e-10 5.784865000000001e-10 5.716657e-10 5.653427e-10 5.594500000000001e-10 5.539325e-10 5.487455e-10 5.438515e-10 5.392192e-10 5.34822e-10 5.306372e-10 5.266453000000001e-10 5.228291e-10 5.19174e-10 5.154788e-10 5.116709e-10 5.077432e-10 5.036879e-10 4.994964000000001e-10 4.951593000000001e-10 4.90666e-10 4.86005e-10 4.811631000000001e-10 4.761259e-10 4.708768e-10 4.6539720000000005e-10 4.596661e-10 4.536591e-10 4.473484e-10 4.407017e-10 4.33681e-10 4.262418e-10 4.183311e-10 4.0988490000000005e-10 4.008255e-10 3.9105690000000004e-10 3.804585e-10 3.688761e-10 3.5610810000000004e-10 3.418839e-10 3.2582800000000004e-10 3.073978e-10 2.857675e-10 2.59587e-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" [ 0.496893 0.675076 0.8254 0.973974 1.12755 1.28261 1.4335 1.57582 1.70697 1.82582 1.9322 2.02647 2.10929 2.18181 2.27752 2.33926 2.38504 2.42299 2.4538 2.47803 2.49617 2.50867 2.51591 2.51825 2.51576 2.50777 2.49339 2.47158 2.44112 2.40054 2.34811 2.28173 2.20184 2.11612 1.99171 1.83723 1.64908 1.42002 1.14088 0.799902 0.38184 -0.133327 -0.772286 -1.57123 -2.58012 -3.86948 -5.54135 -7.7477 -10.7228 -14.8432 -20.7453 -29.5768 -43.586 -67.7064 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.961103541981619e-20 1.0815909933741839e-19 1.3224365937036e-19 1.560478384923516e-19 1.8065342636666999e-19 2.05496777253474e-19 2.296720204839e-19 2.5247419833898797e-19 2.73486744893898e-19 2.92528614188988e-19 3.0957256922148e-19 3.24676288350198e-19 3.37945515232986e-19 3.49564500182754e-19 3.64898932746768e-19 3.7479077128508395e-19 3.82125535915536e-19 3.88205796241566e-19 3.9314210245092e-19 3.9702417643510195e-19 3.99930524849178e-19 4.0193324564167798e-19 4.0309322152469395e-19 4.0346813085705e-19 4.03069188875184e-19 4.0178904974461793e-19 3.99485119744926e-19 3.9599077250617196e-19 3.91110542479008e-19 3.8460890969823596e-19 3.76208697606174e-19 3.65573449109682e-19 3.5277365998065593e-19 3.39039801874008e-19 3.19107122370414e-19 2.9435669772838196e-19 2.64211744359672e-19 2.2751228638126797e-19 1.8278912781979196e-19 1.2815842938898679e-19 6.1177512592656e-20 -2.13613404081318e-20 -1.237338583965324e-19 -2.51738799263982e-19 -4.13380797691608e-19 -6.199590441730319e-19 -8.8782214908159e-19 -1.2413183907241799e-18 -1.7179819611055198e-18 -2.37814282137888e-18 -3.32376349253202e-18 -4.73872578684912e-18 -6.9832470769524e-18 -1.084776120522576e-17 ] } }