{ "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 2.874147 2.852915 2.831016 2.808405 2.785034 2.760852 2.735799 2.709811 2.682814 2.654728 2.625461 2.594909 2.562954 2.529461 2.494275 2.457215 2.41807 2.376591 2.332484 2.285391 2.234879 2.180412 2.121319 2.056739 1.985549 1.90624 1.816717 1.713957 1.593353 1.44738 ] "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 2.874147e-10 2.852915e-10 2.8310160000000003e-10 2.8084050000000004e-10 2.785034e-10 2.760852e-10 2.735799e-10 2.709811e-10 2.682814e-10 2.6547280000000003e-10 2.6254610000000004e-10 2.594909e-10 2.562954e-10 2.529461e-10 2.494275e-10 2.457215e-10 2.4180700000000004e-10 2.376591e-10 2.332484e-10 2.2853910000000002e-10 2.234879e-10 2.180412e-10 2.1213190000000003e-10 2.056739e-10 1.9855490000000001e-10 1.90624e-10 1.816717e-10 1.713957e-10 1.5933530000000002e-10 1.4473800000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.04982 1.33077 1.54191 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 3.24062 3.23495 3.22449 3.20702 3.18084 3.14426 3.09548 3.03229 2.95194 2.85086 2.7247 2.56787 2.37307 2.13126 1.83204 1.464 1.0141 0.464231 -0.225379 -1.15944 -2.57648 -4.9737 -9.36087 -17.9138 -34.7099 -70.282 -154.734 -385.273 -1153.31 -4630.16 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.68199707390588e-19 2.13212859922818e-19 2.4704121737309396e-19 2.75455819977084e-19 3.03037290731394e-19 3.30163743321648e-19 3.55591888679862e-19 3.7795346796059995e-19 3.97080252617292e-19 4.1383902020893197e-19 4.28720036785524e-19 4.420068876112859e-19 4.53970340537364e-19 4.64844313352322e-19 4.74835486841946e-19 4.8405761554725e-19 4.92491473348626e-19 5.0000728393872e-19 5.06403173061648e-19 5.115189230540099e-19 5.152968555569819e-19 5.17788240222852e-19 5.1913727294868e-19 5.19539419283814e-19 5.192045643673079e-19 5.1829613021583e-19 5.166202534566659e-19 5.13821250877068e-19 5.09626752449256e-19 5.03765990322084e-19 4.959505727014319e-19 4.85826418551186e-19 4.729529292969959e-19 4.567581278805239e-19 4.365450674659799e-19 4.11418131314958e-19 3.8020773048463794e-19 3.41465497297884e-19 2.9352516805533596e-19 2.3455865921759997e-19 1.6247673245393998e-19 7.437800609784539e-20 -3.6109696759428596e-20 -1.8576276765249599e-19 -4.12797605396832e-19 -7.9687459245258e-19 -1.499776718791158e-18 -2.8701071786149195e-18 -5.5611390748476595e-18 -1.1260417819078798e-17 -2.47911199285356e-17 -6.17275398311082e-17 -1.8478063337585397e-16 -7.418334163681439e-16 ] } }