{ "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 4.05737 4.036805 4.015101 3.992126 3.96772 3.941693 3.913815 3.883803 3.851301 3.81586 3.776895 3.733626 3.684983 3.62944 3.564709 3.487139 3.390341 3.26153 ] "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 4.0573699999999996e-10 4.0368050000000005e-10 4.0151009999999997e-10 3.992126e-10 3.96772e-10 3.941693e-10 3.913815e-10 3.883803e-10 3.851301e-10 3.81586e-10 3.776895e-10 3.7336260000000004e-10 3.684983e-10 3.62944e-10 3.5647090000000004e-10 3.4871390000000003e-10 3.390341e-10 3.2615300000000003e-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 2.75194 2.57878 2.2817 1.86141 1.32517 0.686185 -0.0374778 -0.824093 -1.64965 -2.48909 -3.31841 -4.11878 -4.88701 -5.6625 -6.56687 -7.7105 -9.23093 -11.4224 ] "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 4.40909396616996e-19 4.13166106022652e-19 3.6556864257977997e-19 2.98230760829394e-19 2.12315641007778e-19 1.09938957360129e-19 -6.00460554537252e-21 -1.3203425488429617e-19 -2.6430306842781e-19 -3.9879618379230596e-19 -5.31667896403194e-19 -6.59901307658652e-19 -7.82985323212434e-19 -9.072325190024998e-19 -1.0521285672515579e-18 -1.2353582936457e-18 -1.478958035608962e-18 -1.8300702384201597e-18 ] } }