{ "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" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" ] } "a" { "source-value" [ 8.53918 7.967024 7.612425 7.354789 7.152319 6.985507 6.843653 6.720252 6.611052 6.513118 6.424342 6.343156 6.268365 6.199033 6.134419 6.07392 6.017044 5.963381 5.912587 5.864372 5.818485 5.774713 5.732869 5.69279 5.652272 5.610518 5.56745 5.522983 5.477023 5.429466 5.380197 5.329088 5.275996 5.220762 5.163205 5.103122 5.040279 4.974412 4.905215 4.832332 4.75535 4.673778 4.587036 4.494423 4.395086 4.287972 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.539180000000001e-10 7.967024000000001e-10 7.612425e-10 7.354789000000001e-10 7.152319e-10 6.985507e-10 6.843653e-10 6.720252e-10 6.611052e-10 6.513118000000001e-10 6.424342e-10 6.343156e-10 6.268365e-10 6.199033e-10 6.134419000000001e-10 6.07392e-10 6.017044000000001e-10 5.963381e-10 5.912587000000001e-10 5.864372e-10 5.818485e-10 5.774713000000001e-10 5.732869e-10 5.69279e-10 5.652272000000001e-10 5.610518e-10 5.56745e-10 5.522983e-10 5.477023e-10 5.429466e-10 5.380197e-10 5.329088e-10 5.275996e-10 5.220761999999999e-10 5.163205e-10 5.103122e-10 5.040279e-10 4.974412000000001e-10 4.905215e-10 4.832332e-10 4.755350000000001e-10 4.673778e-10 4.5870360000000004e-10 4.4944230000000006e-10 4.3950860000000003e-10 4.287972e-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" [ 0.525185 0.787221 1.01752 1.22859 1.42589 1.6107 1.78505 1.94894 2.10289 2.2472 2.38219 2.50814 2.6247 2.73181 2.8298 2.91851 2.99744 3.06641 3.12525 3.17377 3.21177 3.23903 3.25582 3.26149 3.2551 3.2337 3.19335 3.12933 3.035 2.90214 2.72013 2.47515 2.14898 1.71772 1.14878 0.398225 -0.593736 -1.91228 -3.67717 -6.06003 -9.31579 -13.8277 -20.1915 -29.3553 -42.8836 -63.4666 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.4143913552729e-20 1.261267091994114e-19 1.63024676862768e-19 1.96841819076606e-19 2.28452764065426e-19 2.5806259043838e-19 2.8599654005217e-19 3.1225461290679595e-19 3.36920122187226e-19 3.6004113319247993e-19 3.8166891557484596e-19 4.0184833028007596e-19 4.2052330112597994e-19 4.376842150527539e-19 4.533839438893199e-19 4.67596852809534e-19 4.80242832981696e-19 4.91293045226394e-19 5.007202525408499e-19 5.08494013569018e-19 5.145822847782179e-19 5.189498182825019e-19 5.216398728509879e-19 5.225483070024659e-19 5.215245161333399e-19 5.180958581365799e-19 5.1163107541839e-19 5.01373940607522e-19 4.86260608419e-19 4.64974089659676e-19 4.35812872744242e-19 3.9656274956451e-19 3.4430455429333195e-19 2.7520908477544796e-19 1.8405484736065198e-19 6.3802679007465e-20 -9.51269945964624e-20 -3.0638103336655197e-19 -5.89147585324578e-19 -9.70923846733902e-19 -1.4925541065250859e-18 -2.21544178419618e-18 -3.2350349505410998e-18 -4.70323757440602e-18 -6.87071019018024e-18 -1.016847035594244e-17 ] } }