{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 6.11536 5.705609 5.451662 5.267155 5.122156 5.002693 4.901104 4.81273 4.734526 4.66439 4.600813 4.542672 4.489109 4.439458 4.393184 4.349857 4.309125 4.270694 4.234318 4.199789 4.166927 4.135579 4.105613 4.07691 4.047893 4.017991 3.987147 3.955302 3.922388 3.888329 3.853045 3.816443 3.778422 3.738866 3.697646 3.654617 3.609612 3.562441 3.512885 3.46069 3.405559 3.347141 3.28502 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.11536e-10 5.705609e-10 5.451662e-10 5.267155e-10 5.122156000000001e-10 5.002693e-10 4.901104e-10 4.812730000000001e-10 4.734526e-10 4.66439e-10 4.600813e-10 4.5426719999999996e-10 4.4891090000000003e-10 4.439458e-10 4.393184e-10 4.3498570000000004e-10 4.309125e-10 4.2706939999999997e-10 4.234318e-10 4.199789e-10 4.166927e-10 4.135579e-10 4.1056130000000003e-10 4.0769099999999997e-10 4.0478930000000004e-10 4.017991e-10 3.987147e-10 3.9553020000000004e-10 3.922388e-10 3.8883290000000004e-10 3.853045e-10 3.816443e-10 3.778422e-10 3.738866e-10 3.6976460000000004e-10 3.654617e-10 3.609612e-10 3.562441e-10 3.5128849999999997e-10 3.46069e-10 3.405559e-10 3.3471410000000004e-10 3.28502e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9.07464e-16 0.000173751 0.0233031 0.184084 0.569979 1.14786 1.78263 2.33135 2.68811 2.80725 2.68621 2.32737 1.75851 1.02682 0.187266 -0.706271 -1.60652 -2.47591 -3.28787 -4.0283 -4.69811 -5.31785 -5.93474 -6.59938 -7.32364 -8.11553 -8.9849 -9.94393 -11.0079 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4539176169961759e-34 2.78379792334134e-23 3.73356823197654e-21 2.9493508349325596e-20 9.13207035670686e-20 1.83907447110324e-19 2.85608813306742e-19 3.7352344956758997e-19 4.3068270316217396e-19 4.497710355796499e-19 4.30378289601714e-19 3.72885783267258e-19 2.81744363265534e-19 1.64514701132388e-19 3.0003320954264396e-20 -1.131570893471814e-19 -2.5739288060536796e-19 -3.9668451498869393e-19 -5.26774848962958e-19 -6.454048134742199e-19 -7.52720206596174e-19 -8.5201350131169e-19 -9.508501756865158e-19 -1.0573372434886919e-18 -1.173376488382776e-18 -1.3002512538526018e-18 -1.43953968388266e-18 -1.593193229613162e-18 -1.76366001694086e-18 ] } }