{ "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" [ "U" "U" "U" "U" "U" "U" "U" "U" ] } "a" { "source-value" [ 9.0277 8.422811 8.047926 7.775551 7.561498 7.385142 7.235173 7.104713 6.989265 6.885728 6.791873 6.706043 6.626973 6.553675 6.485364 6.421404 6.361274 6.304541 6.250841 6.199868 6.151356 6.10508 6.060842 6.01847 5.989624 5.959266 5.927226 5.893309 5.85728 5.818858 5.777704 5.733399 5.685419 5.6331 5.575578 5.511703 5.439895 5.3579 5.262343 5.147831 5.004935 4.81478 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.0277e-10 8.422811e-10 8.047926000000001e-10 7.775551e-10 7.561498000000001e-10 7.385142000000001e-10 7.235173e-10 7.104713e-10 6.989265e-10 6.885728000000001e-10 6.791873e-10 6.706043000000001e-10 6.626973e-10 6.553675e-10 6.485364e-10 6.421404e-10 6.361274000000001e-10 6.304541000000001e-10 6.250841e-10 6.199868000000001e-10 6.151356000000001e-10 6.105080000000001e-10 6.060842e-10 6.01847e-10 5.989624e-10 5.959266000000001e-10 5.927226e-10 5.893309e-10 5.857280000000001e-10 5.818857999999999e-10 5.777704e-10 5.733399000000001e-10 5.685419e-10 5.6331e-10 5.575578e-10 5.511703e-10 5.439895e-10 5.3579e-10 5.262343000000001e-10 5.147831e-10 5.004935e-10 4.81478e-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" [ 1.77492 1.95888 2.05074 2.17047 2.30127 2.53255 2.82249 3.09803 3.32128 3.47886 3.58355 3.652 3.69725 3.73006 3.7569 3.78244 3.8097 3.83969 3.8714 3.90243 3.93111 3.95564 3.97265 3.9789 3.97552 3.96386 3.94131 3.90498 3.85182 3.77919 3.68563 3.57143 3.4395 3.30033 3.16702 3.04266 2.90721 2.69588 2.2764 1.37451 -0.329299 -2.66196 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.843735327790336e-19 3.138471738952704e-19 3.2856476833393917e-19 3.477476290147776e-19 3.6870409921484166e-19 4.0575924010070405e-19 4.522127490441793e-19 4.963591236537024e-19 5.321277167130624e-19 5.573748159036289e-19 5.74148002946784e-19 5.8511490191616e-19 5.9236475112528e-19 5.976214926181248e-19 6.01921734668352e-19 6.060136937578752e-19 6.10381227226176e-19 6.151861549119552e-19 6.20266656976512e-19 6.252382110308544e-19 6.298332535793088e-19 6.337633928301312e-19 6.36488695262112e-19 6.37490055650112e-19 6.369485199522817e-19 6.350803820124288e-19 6.314674737325248e-19 6.256467660691584e-19 6.171295951529857e-19 6.054929863561152e-19 5.905030218919104e-19 5.722061648823745e-19 5.5106864872416e-19 5.287711566924865e-19 5.0741254016060165e-19 4.874878717043328e-19 4.657863893755968e-19 4.319275908482304e-19 3.6471948595891206e-19 2.202207787055808e-19 -5.275951590528192e-20 -4.2649300775047683e-19 ] } }