{ "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" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 9.22292 8.60495 8.221956 7.943691 7.725009 7.544839 7.391626 7.258345 7.1404 7.034624 6.93874 6.851053 6.770273 6.69539 6.625601 6.560258 6.498828 6.440868 6.386007 6.333931 6.28437 6.237093 6.191898 6.14861 6.119141 6.088125 6.055393 6.020742 5.983934 5.944682 5.902638 5.857374 5.808357 5.754906 5.69614 5.630884 5.557523 5.473755 5.376132 5.259143 5.113158 4.91889 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.22292e-10 8.60495e-10 8.221956000000001e-10 7.943691e-10 7.725009e-10 7.544839e-10 7.391626e-10 7.258345000000001e-10 7.140399999999999e-10 7.034624e-10 6.93874e-10 6.851053000000001e-10 6.770273000000001e-10 6.69539e-10 6.625601e-10 6.560258000000001e-10 6.498828e-10 6.440868e-10 6.386007000000001e-10 6.333931e-10 6.28437e-10 6.237093e-10 6.191898e-10 6.14861e-10 6.119141e-10 6.088125e-10 6.055392999999999e-10 6.020742000000001e-10 5.983934e-10 5.944682000000001e-10 5.902638e-10 5.857374e-10 5.808357e-10 5.754906e-10 5.69614e-10 5.630884e-10 5.557523e-10 5.473755e-10 5.376132000000001e-10 5.259143e-10 5.113158000000001e-10 4.91889e-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" [ 2.70502 3.35619 3.73391 3.99408 4.1575 4.26058 4.33013 4.38186 4.42669 4.46978 4.51042 4.54687 4.57798 4.60338 4.62331 4.63846 4.64966 4.65775 4.66346 4.66741 4.67005 4.67173 4.67265 4.67294 4.6728 4.67233 4.67145 4.6701 4.66824 4.66586 4.6629 4.65897 4.65294 4.64213 4.61991 4.56968 4.46361 4.25603 3.85435 3.0659 1.73958 -0.740891 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.3339198027964164e-19 5.377209152962752e-19 5.982383306171329e-19 6.399221597604864e-19 6.661049300976e-19 6.826201667048065e-19 6.937633051024704e-19 7.0205136476186875e-19 7.092339225529152e-19 7.161377016119424e-19 7.226489473988736e-19 7.284888811816897e-19 7.334732526489984e-19 7.375427812658304e-19 7.407359192710848e-19 7.431632168515969e-19 7.449576546668928e-19 7.462538155531201e-19 7.471686584035968e-19 7.478015181688129e-19 7.48224492796704e-19 7.484936584689985e-19 7.48641058718112e-19 7.486875218401151e-19 7.486650913674239e-19 7.485897890662464e-19 7.484487975236161e-19 7.48232503679808e-19 7.479344988283392e-19 7.475531807925889e-19 7.47078936512832e-19 7.464492811008576e-19 7.4548316859851525e-19 7.437512156714304e-19 7.401911792200128e-19 7.321434460537345e-19 7.151491586369089e-19 6.818911763423425e-19 6.175349458380481e-19 4.912113301710721e-19 2.787114406011264e-19 -1.187038238761133e-19 ] } }