{ "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" [ 7.76471 7.244445 6.922006 6.687736 6.503629 6.351945 6.222957 6.110748 6.011451 5.922399 5.841675 5.767852 5.699844 5.6368 5.578046 5.523034 5.471316 5.42252 5.376333 5.33249 5.290765 5.250963 5.212914 5.17647 5.15166 5.125549 5.097991 5.068819 5.037831 5.004785 4.969388 4.931281 4.890014 4.845014 4.79554 4.740601 4.678839 4.608316 4.526127 4.427636 4.304732 4.14118 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.76471e-10 7.244445e-10 6.922006e-10 6.687736000000001e-10 6.503629e-10 6.351945e-10 6.222957e-10 6.110748e-10 6.011451e-10 5.922399000000001e-10 5.841675000000001e-10 5.767852000000001e-10 5.699844e-10 5.636800000000001e-10 5.578046e-10 5.523034e-10 5.471316e-10 5.42252e-10 5.376333e-10 5.33249e-10 5.290765e-10 5.250962999999999e-10 5.212914e-10 5.17647e-10 5.15166e-10 5.125549000000001e-10 5.097991000000001e-10 5.068819000000001e-10 5.037830999999999e-10 5.004785000000001e-10 4.969388000000001e-10 4.931281e-10 4.890014e-10 4.845014e-10 4.79554e-10 4.740601e-10 4.678839e-10 4.6083160000000004e-10 4.526127e-10 4.427636e-10 4.3047319999999995e-10 4.1411800000000005e-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" [ 1.69492 1.91815 2.20063 2.39901 2.52604 2.64493 2.78035 2.93153 3.08422 3.22232 3.33684 3.42778 3.50173 3.56399 3.61662 3.66043 3.69588 3.72399 3.7465 3.76474 3.77932 3.79025 3.79717 3.79959 3.79832 3.79395 3.78547 3.77161 3.75072 3.72071 3.67893 3.62205 3.54588 3.44573 3.31874 3.16493 2.98288 2.75917 2.45331 1.98633 1.23298 0.0217648 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.7155612204992797e-19 3.0732151105071e-19 3.5257979660794196e-19 3.84363776673234e-19 4.04716226454936e-19 4.23764504456562e-19 4.4546118043418995e-19 4.69682886787002e-19 4.94146521811548e-19 5.162725811270879e-19 5.34620707939656e-19 5.4919090224925195e-19 5.6103899845768195e-19 5.71014150180966e-19 5.79446405805708e-19 5.86465541639262e-19 5.92145257806792e-19 5.96648976324966e-19 6.002554759281e-19 6.03177846108516e-19 6.055138196408879e-19 6.072649987018499e-19 6.083737049325779e-19 6.08761431678006e-19 6.08557955245488e-19 6.078578040564299e-19 6.06499158270798e-19 6.04278541456074e-19 6.00931594467648e-19 5.961234623890139e-19 5.894295684121619e-19 5.8031638771797e-19 5.68112608296792e-19 5.52066809307282e-19 5.31720768232116e-19 5.0707768942456195e-19 4.77910063802592e-19 4.420677703233779e-19 3.93063595795854e-19 3.1824515134132195e-19 1.9754517461893198e-19 3.48710540036832e-21 ] } }