{ "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" [ 4.3978 4.103132 3.920508 3.787823 3.683548 3.597637 3.52458 3.461027 3.404787 3.35435 3.308629 3.266818 3.228299 3.192592 3.159315 3.128157 3.098865 3.071228 3.045068 3.020237 2.996605 2.974061 2.952511 2.93187 2.917818 2.903029 2.887421 2.870898 2.853347 2.83463 2.814582 2.792999 2.769626 2.744139 2.716118 2.685002 2.650021 2.610077 2.563527 2.507744 2.438133 2.3455 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3978000000000006e-10 4.103132e-10 3.920508e-10 3.787823e-10 3.683548e-10 3.5976370000000005e-10 3.5245799999999997e-10 3.461027e-10 3.404787e-10 3.3543500000000004e-10 3.308629e-10 3.2668180000000006e-10 3.228299e-10 3.192592e-10 3.159315e-10 3.128157e-10 3.098865e-10 3.0712280000000003e-10 3.0450680000000003e-10 3.020237e-10 2.9966050000000003e-10 2.974061e-10 2.952511e-10 2.93187e-10 2.917818e-10 2.903029e-10 2.887421e-10 2.8708980000000003e-10 2.853347e-10 2.8346300000000005e-10 2.814582e-10 2.7929990000000003e-10 2.7696260000000005e-10 2.7441390000000004e-10 2.716118e-10 2.685002e-10 2.650021e-10 2.610077e-10 2.5635270000000003e-10 2.507744e-10 2.4381330000000003e-10 2.3455e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.755275 1.2168 1.55029 1.81323 2.03285 2.22374 2.39235 2.54189 2.67478 2.79331 2.89977 2.99609 3.08351 3.16256 3.23322 3.29523 3.34843 3.39289 3.42892 3.45702 3.47777 3.49181 3.49975 3.50224 3.5011 3.49743 3.4909 3.48109 3.46759 3.44995 3.42777 3.40077 3.36848 3.32833 3.2773 3.21033 3.11831 2.98466 2.77877 2.44128 1.84466 0.665423 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2100839472747202e-19 1.9495285121894403e-19 2.483838393460032e-19 2.905114714133184e-19 3.2569847435932797e-19 3.562824238737792e-19 3.83296723877088e-19 4.072556730645312e-19 4.2854699817834245e-19 4.475375976646848e-19 4.645943699697216e-19 4.800265351812673e-19 4.9403276320030085e-19 5.0669796938772485e-19 5.180189493902977e-19 5.279540466158784e-19 5.364776262385345e-19 5.4360090349461125e-19 5.493735458593536e-19 5.538756621638016e-19 5.572001786519616e-19 5.594496346275648e-19 5.607217628644801e-19 5.611207048430592e-19 5.60938056708288e-19 5.603500578884545e-19 5.59303836555072e-19 5.577321012900673e-19 5.555691628519873e-19 5.52742923292896e-19 5.491892955479617e-19 5.448634186718016e-19 5.396899903632384e-19 5.332572512307264e-19 5.25081343934784e-19 5.143515671052864e-19 4.996083378406849e-19 4.781952473036928e-19 4.452080328580417e-19 3.911361740826624e-19 2.955471125324928e-19 1.0661251735425985e-19 ] } }