{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.34213 4.051191 3.870878 3.739871 3.636916 3.552092 3.47996 3.417211 3.361683 3.311884 3.266742 3.225459 3.187428 3.152173 3.119317 3.088553 3.059632 3.032344 3.006516 2.981999 2.958666 2.936408 2.91513 2.89475 2.880876 2.866274 2.850864 2.83455 2.817221 2.798741 2.778947 2.757637 2.734559 2.709395 2.681728 2.651005 2.616467 2.577029 2.531069 2.475991 2.407261 2.3158 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.34213e-10 4.051191e-10 3.870878e-10 3.739871e-10 3.636916e-10 3.552092e-10 3.47996e-10 3.417211e-10 3.361683e-10 3.3118840000000003e-10 3.266742e-10 3.2254589999999997e-10 3.1874280000000004e-10 3.152173e-10 3.119317e-10 3.088553e-10 3.0596320000000003e-10 3.032344e-10 3.006516e-10 2.9819990000000003e-10 2.9586660000000004e-10 2.9364080000000003e-10 2.9151300000000004e-10 2.8947500000000003e-10 2.8808760000000005e-10 2.866274e-10 2.8508640000000004e-10 2.8345500000000003e-10 2.817221e-10 2.798741e-10 2.778947e-10 2.757637e-10 2.734559e-10 2.7093950000000004e-10 2.6817280000000003e-10 2.651005e-10 2.616467e-10 2.577029e-10 2.531069e-10 2.4759910000000003e-10 2.407261e-10 2.3158e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.04982 1.33077 1.5419 1.71926 1.89141 2.06072 2.21943 2.359 2.47838 2.58298 2.67586 2.75879 2.83346 2.90133 2.96369 3.02125 3.07389 3.1208 3.16072 3.19265 3.21623 3.23178 3.2402 3.24271 3.24172 3.23891 3.2342 3.22658 3.21471 3.19724 3.17257 3.13864 3.09276 3.03117 2.94837 2.83604 2.68132 2.46298 2.1438 1.65737 0.878405 -0.526584 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6819970600482562e-19 2.132128581662016e-19 2.4703961316115203e-19 2.7545581770766084e-19 3.030372882347328e-19 3.301637406014976e-19 3.5559188575021444e-19 3.7795346484672e-19 3.970802493458304e-19 4.1383901679939843e-19 4.2872003325338885e-19 4.420068839696832e-19 4.539703367971969e-19 4.648443095225665e-19 4.748354829298752e-19 4.840576115592001e-19 4.924914692910912e-19 5.00007279819264e-19 5.064031688894977e-19 5.11518918839712e-19 5.152968513115584e-19 5.177882359569024e-19 5.191372686716161e-19 5.195394150034369e-19 5.193807995179777e-19 5.189305878875328e-19 5.18175962699136e-19 5.169551041140864e-19 5.150533204651969e-19 5.122543179086592e-19 5.083017481851456e-19 5.028655629107713e-19 4.955147765745409e-19 4.856469707670336e-19 4.723809483468097e-19 4.543836983653633e-19 4.295948216883456e-19 3.946128973497984e-19 3.4347462396710404e-19 2.655399466015296e-19 1.407359954593824e-19 -8.436805736873474e-20 ] } }