{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Cr" ] } "a" { "source-value" [ 3.28824 3.067916 2.931368 2.832158 2.754191 2.689956 2.635331 2.587812 2.545762 2.50805 2.473864 2.442601 2.413801 2.387103 2.362221 2.338924 2.317023 2.296358 2.276799 2.258232 2.240562 2.223707 2.207593 2.19216 2.176558 2.160479 2.143895 2.126771 2.109073 2.09076 2.071788 2.052107 2.031663 2.010394 1.98823 1.965093 1.940894 1.91553 1.888884 1.860818 1.831174 1.799763 1.766361 1.730698 1.692446 1.651199 1.606448 1.557542 1.503631 1.44357 1.375776 1.297956 1.206624 1.09608 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.2882400000000004e-10 3.067916e-10 2.931368e-10 2.8321580000000004e-10 2.7541910000000004e-10 2.689956e-10 2.6353309999999997e-10 2.5878120000000003e-10 2.545762e-10 2.50805e-10 2.473864e-10 2.4426009999999997e-10 2.413801e-10 2.3871030000000004e-10 2.362221e-10 2.338924e-10 2.317023e-10 2.2963580000000003e-10 2.276799e-10 2.2582320000000001e-10 2.2405620000000003e-10 2.2237070000000002e-10 2.2075930000000003e-10 2.1921599999999999e-10 2.176558e-10 2.1604790000000002e-10 2.1438950000000002e-10 2.1267710000000002e-10 2.1090730000000002e-10 2.09076e-10 2.0717880000000003e-10 2.052107e-10 2.0316630000000002e-10 2.0103939999999997e-10 1.98823e-10 1.965093e-10 1.940894e-10 1.91553e-10 1.8888840000000001e-10 1.8608180000000002e-10 1.831174e-10 1.7997630000000002e-10 1.7663610000000002e-10 1.7306980000000002e-10 1.692446e-10 1.6511990000000001e-10 1.606448e-10 1.557542e-10 1.503631e-10 1.44357e-10 1.3757760000000002e-10 1.2979560000000003e-10 1.206624e-10 1.0960799999999999e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.28319 1.86969 2.16877 2.33648 2.44436 2.51765 2.56868 2.60653 2.64038 2.67489 2.71224 2.7533 2.79828 2.84701 2.89897 2.95171 3.00239 3.04901 3.09015 3.12484 3.15239 3.17236 3.18446 3.18851 3.18399 3.16901 3.14123 3.09813 3.03683 2.95412 2.84655 2.70994 2.53896 2.327 2.06573 1.74443 1.34915 0.860424 0.24869 -0.526964 -1.52207 -2.81825 -4.53146 -6.83117 -9.94418 -13.8686 -18.7826 -25.0111 -33.0439 -43.6693 -58.4665 -80.6705 -117.581 -184.799 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.05589703498246e-19 2.9955736308234597e-19 3.4747526185201796e-19 3.7434536618083196e-19 3.91629647708424e-19 4.0337200025901e-19 4.11547907622312e-19 4.1761214618200196e-19 4.2303551408809197e-19 4.2856462565202595e-19 4.345487553800159e-19 4.4112729263922e-19 4.48333883138952e-19 4.56141289876434e-19 4.644661996666979e-19 4.729160792344139e-19 4.81035910415526e-19 4.88505257883234e-19 4.950966125555099e-19 5.006545632988559e-19 5.05068559925526e-19 5.08268106663624e-19 5.102067403907639e-19 5.108556219275339e-19 5.10131438088966e-19 5.07731377491234e-19 5.03280530801982e-19 4.96375149509442e-19 4.8655380674302195e-19 4.73302203803208e-19 4.560675897512699e-19 4.34180254754196e-19 4.0678623866606395e-19 3.7282650273179996e-19 3.3096643381528197e-19 2.7948849856486197e-19 2.1615766057611e-19 1.378551228132816e-19 3.9844530710946e-20 -8.44289407759176e-20 -2.43862498931238e-19 -4.5153342987705e-19 -7.26019932990564e-19 -1.094474095688178e-18 -1.5932332840290119e-18 -2.22199468662924e-18 -3.0093042845768398e-18 -4.00722000106374e-18 -5.29421644762326e-18 -6.99659320831362e-18 -9.367366017176099e-18 -1.29248390153097e-17 -1.88385530802354e-17 -2.96080639786566e-17 ] } }