{ "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" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 10.6135 9.902359 9.461622 9.141403 8.88975 8.682416 8.506104 8.352728 8.217001 8.095278 7.984937 7.88403 7.79107 7.704897 7.624587 7.549392 7.4787 7.412001 7.348869 7.288941 7.231908 7.177503 7.125495 7.07568 7.041767 7.006075 6.968407 6.928532 6.886174 6.841003 6.792619 6.740531 6.684123 6.622613 6.554986 6.47989 6.395467 6.299069 6.186725 6.052097 5.8841 5.66054 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.06135e-09 9.902359e-10 9.461622e-10 9.141403000000001e-10 8.889749999999999e-10 8.682416e-10 8.506104e-10 8.352728000000001e-10 8.217001e-10 8.095278000000001e-10 7.984937e-10 7.88403e-10 7.791070000000001e-10 7.704897e-10 7.624587000000001e-10 7.549392e-10 7.4787e-10 7.412001e-10 7.348869e-10 7.288941e-10 7.231908e-10 7.177503e-10 7.125495e-10 7.075680000000001e-10 7.041767e-10 7.006075000000001e-10 6.968407000000001e-10 6.928532e-10 6.886173999999999e-10 6.841003e-10 6.792619000000001e-10 6.740531e-10 6.684123e-10 6.622613e-10 6.554986e-10 6.47989e-10 6.395467e-10 6.299069000000001e-10 6.186725000000001e-10 6.052097e-10 5.8841e-10 5.660540000000001e-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" [ 0.559771 0.734073 0.868521 0.98245 1.08166 1.16908 1.24663 1.31566 1.3772 1.43208 1.48095 1.52437 1.5628 1.59662 1.62619 1.65179 1.67369 1.69211 1.70727 1.71933 1.72848 1.73484 1.73857 1.73979 1.7392 1.73725 1.73364 1.72797 1.71973 1.70826 1.69269 1.67185 1.64414 1.60733 1.55819 1.49193 1.40119 1.27402 1.08982 0.810019 0.353546 -0.482807 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.968520092018369e-20 1.1761145985605185e-19 1.391524040873837e-19 1.57405842110496e-19 1.7330103636545282e-19 1.873072643844864e-19 1.997321440787904e-19 2.1079196929217281e-19 2.20651764216576e-19 2.294445095115264e-19 2.3727434665737603e-19 2.442309975448896e-19 2.50388162298624e-19 2.558067236301696e-19 2.605443598978752e-19 2.6464593204712325e-19 2.681546988466752e-19 2.7110590818218883e-19 2.735348079393216e-19 2.7546703294400644e-19 2.769330245520384e-19 2.7795200888286723e-19 2.785496207624256e-19 2.787450863101632e-19 2.78650557889536e-19 2.7833813344848003e-19 2.777597476883712e-19 2.768513135443776e-19 2.755311200088384e-19 2.736934234247808e-19 2.711988344261952e-19 2.6785989834844804e-19 2.634202669322112e-19 2.575226547910464e-19 2.496495588764352e-19 2.390335365870144e-19 2.244953859298752e-19 2.041205058431616e-19 1.746084124880256e-19 1.2977935042037954e-19 5.664431355773569e-20 -7.735420877585857e-20 ] } }