{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 8.59329 8.017508 7.660661 7.401393 7.197639 7.02977 6.887017 6.762834 6.652942 6.554387 6.465048 6.383348 6.308083 6.238312 6.173288 6.112405 6.055169 6.001166 5.95005 5.901529 5.855352 5.811302 5.769193 5.72886 5.701402 5.672504 5.642007 5.609721 5.575426 5.538853 5.499679 5.457506 5.411835 5.362033 5.307279 5.246478 5.178125 5.100076 5.009117 4.900115 4.764095 4.58309 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.59329e-10 8.017508e-10 7.660661e-10 7.401393e-10 7.197639e-10 7.029770000000001e-10 6.887017e-10 6.762834e-10 6.652942000000001e-10 6.554387000000001e-10 6.465048000000001e-10 6.383348e-10 6.308083e-10 6.238312e-10 6.173288e-10 6.112405e-10 6.055169e-10 6.001165999999999e-10 5.950050000000001e-10 5.901529000000001e-10 5.855352e-10 5.811302000000001e-10 5.769193e-10 5.72886e-10 5.701402e-10 5.672504e-10 5.642007000000001e-10 5.609721e-10 5.575426e-10 5.538853e-10 5.499679000000001e-10 5.457506000000001e-10 5.411835e-10 5.362033000000001e-10 5.307279e-10 5.246478e-10 5.178125e-10 5.100075999999999e-10 5.009117e-10 4.900115000000001e-10 4.764095000000001e-10 4.5830900000000004e-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" [ 0.337025 0.49746 0.622765 0.726183 0.821053 0.904524 0.978182 1.04353 1.10167 1.15344 1.1995 1.24037 1.27649 1.30823 1.3359 1.35997 1.3815 1.39969 1.41472 1.42673 1.43587 1.44227 1.44603 1.44726 1.44666 1.44468 1.44099 1.43556 1.4287 1.41867 1.40458 1.38523 1.35893 1.32332 1.27494 1.20861 1.11621 0.984365 0.789563 0.497845 0.0086239 -0.914157 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.3997357562512006e-20 7.97018781783168e-20 9.97779523252512e-20 1.1634734250224065e-19 1.3154719210377025e-19 1.4492072057524993e-19 1.5672203312873858e-19 1.671919369103424e-19 1.7650699178367359e-19 1.848014601495552e-19 1.9218108566496002e-19 1.987291815141696e-19 2.045162434684992e-19 2.096015520629184e-19 2.1403477477267203e-19 2.178912138989376e-19 2.2134070016352003e-19 2.2425505943675523e-19 2.266631308978176e-19 2.2858734501939843e-19 2.300517344508096e-19 2.310771274881216e-19 2.316795458975424e-19 2.318766136219008e-19 2.317804830246528e-19 2.3146325205373443e-19 2.308720488806592e-19 2.300020669755648e-19 2.28902973813696e-19 2.2729599066303362e-19 2.250385238043264e-19 2.219383120430784e-19 2.1772458753037443e-19 2.1201923658370563e-19 2.042679060922752e-19 1.936406685665088e-19 1.788365565903168e-19 1.5771265893337922e-19 1.2650193792487105e-19 7.97635619782176e-20 1.3817010960117121e-21 -1.4646409731406657e-19 ] } }