{ "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" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" ] } "a" { "source-value" [ 13.209 12.323954 11.775438 11.376912 11.063719 10.805683 10.586255 10.395372 10.226454 10.074963 9.937639 9.812056 9.696364 9.589118 9.489168 9.395585 9.307605 9.224596 9.146025 9.071443 9.000463 8.932753 8.868026 8.80603 8.743354 8.678766 8.612145 8.54336 8.472266 8.398701 8.322488 8.243429 8.161303 8.075863 7.98683 7.893888 7.796679 7.694791 7.587751 7.475011 7.355929 7.229748 7.095569 6.952308 6.798647 6.632955 6.453188 6.256732 6.040166 5.7989 5.526565 5.21396 4.847073 4.40301 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.3209e-09 1.2323954000000002e-09 1.1775438e-09 1.1376912000000002e-09 1.1063719000000002e-09 1.0805683e-09 1.0586255e-09 1.0395372e-09 1.0226454000000002e-09 1.0074963000000001e-09 9.937639e-10 9.812056e-10 9.696364e-10 9.589118e-10 9.489167999999999e-10 9.395585000000002e-10 9.307605000000001e-10 9.224596e-10 9.146025e-10 9.071443000000001e-10 9.000463000000001e-10 8.932753e-10 8.868026000000001e-10 8.80603e-10 8.743354000000001e-10 8.678766e-10 8.612145000000001e-10 8.54336e-10 8.472265999999999e-10 8.398701000000002e-10 8.322488e-10 8.243429000000001e-10 8.161303e-10 8.075863000000001e-10 7.986830000000001e-10 7.893888e-10 7.796679e-10 7.694791e-10 7.587751e-10 7.475011000000001e-10 7.355929e-10 7.229748e-10 7.095569e-10 6.952308e-10 6.798647e-10 6.632955e-10 6.453188e-10 6.256732000000001e-10 6.040166e-10 5.7989e-10 5.526565e-10 5.21396e-10 4.847073e-10 4.4030100000000003e-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" [ 0.260736 0.390826 0.505159 0.609948 0.707896 0.799649 0.886206 0.967569 1.044 1.11564 1.18266 1.24518 1.30305 1.35622 1.40487 1.44891 1.48809 1.52233 1.55154 1.57563 1.5945 1.60803 1.61636 1.61918 1.616 1.60538 1.58535 1.55356 1.50673 1.44077 1.35041 1.22878 1.06685 0.852742 0.570286 0.19766 -0.294805 -0.949411 -1.82562 -3.00861 -4.62497 -6.86493 -10.0243 -14.5738 -21.29 -31.5086 -47.6362 -74.2706 -120.824 -208.315 -389.192 -814.966 -2021.81 -6570.89 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.17745126842624e-20 6.26172285159684e-20 8.09353946254806e-20 9.77244433555032e-20 1.134174430502064e-19 1.281178943201466e-19 1.419858546110604e-19 1.550216443582746e-19 1.672672405896e-19 1.7874523399557599e-19 1.89483021796644e-19 1.9949983011241197e-19 2.0877162629336999e-19 2.17290399456348e-19 2.25084988780758e-19 2.3214097467689396e-19 2.3841830272890597e-19 2.43904155523722e-19 2.4858411347163596e-19 2.52443756982942e-19 2.554670642913e-19 2.57634809277102e-19 2.58969422413224e-19 2.59421236224012e-19 2.589117440544e-19 2.57210232469092e-19 2.5400107267119e-19 2.48907753151704e-19 2.4140475997468196e-19 2.30836802896818e-19 2.1635953483199401e-19 1.96872260432652e-19 1.7092821419829e-19 1.3662433072304278e-19 9.136989038973239e-20 3.1668623347644e-20 -4.7232968258636994e-20 -1.521124120262574e-19 -2.92496570656308e-19 -4.820324642818739e-19 -7.41001886695098e-19 -1.099883044004562e-18 -1.60606992322062e-18 -2.33498018285892e-18 -3.4110340537859996e-18 -5.04823426900524e-18 -7.63216065725508e-18 -1.189946199131604e-17 -1.93581389626416e-17 -3.3375742551171e-17 -6.23554328539728e-17 -1.305719482704444e-16 -3.23929674038754e-16 -1.052772642258426e-15 ] } }