{ "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" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" ] } "a" { "source-value" [ 12.122 11.309781 10.806399 10.440666 10.153244 9.916441 9.715069 9.539892 9.384873 9.245849 9.119824 9.004575 8.898403 8.799981 8.708256 8.622373 8.541633 8.465454 8.393349 8.324903 8.259764 8.197626 8.138225 8.08133 8.023812 7.964539 7.903401 7.840277 7.775033 7.707522 7.637581 7.565028 7.489661 7.411253 7.329547 7.244254 7.155044 7.061541 6.96331 6.859848 6.750566 6.634769 6.511633 6.380162 6.239146 6.08709 5.922117 5.741828 5.543085 5.321674 5.071751 4.784872 4.448179 4.04066 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.2122e-09 1.1309781e-09 1.0806399e-09 1.0440666e-09 1.0153244000000001e-09 9.916441000000002e-10 9.715069e-10 9.539892e-10 9.384873000000001e-10 9.245849e-10 9.119824e-10 9.004575000000001e-10 8.898403e-10 8.799981000000001e-10 8.708256e-10 8.622373e-10 8.541633e-10 8.465453999999999e-10 8.393349e-10 8.324903000000001e-10 8.259764000000001e-10 8.197626e-10 8.138225000000001e-10 8.08133e-10 8.023811999999999e-10 7.964539000000001e-10 7.903401e-10 7.840277e-10 7.775033e-10 7.707522e-10 7.637581000000001e-10 7.565028e-10 7.489661e-10 7.411253000000001e-10 7.329547e-10 7.244254e-10 7.155044e-10 7.061541000000001e-10 6.96331e-10 6.859848e-10 6.750566e-10 6.634769e-10 6.511633e-10 6.380162000000001e-10 6.239146e-10 6.087090000000001e-10 5.922117e-10 5.741828e-10 5.543085e-10 5.321674e-10 5.071751e-10 4.784872e-10 4.4481789999999997e-10 4.04066e-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" [ 1.25005 1.4793 1.63866 1.76085 1.85915 1.9405 2.00901 2.06741 2.11758 2.16089 2.19836 2.23081 2.25887 2.28305 2.30378 2.32141 2.33624 2.34852 2.35848 2.3663 2.37215 2.37617 2.37851 2.37926 2.37846 2.37589 2.37126 2.36426 2.35447 2.34146 2.32466 2.30342 2.27696 2.24433 2.20438 2.1557 2.09656 2.02479 1.9377 1.83186 1.7029 1.54512 1.35109 1.11083 0.810843 0.432401 -0.0510366 -0.678132 -1.50704 -2.62865 -4.19194 -6.45585 -9.90652 -15.556 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0028009013317e-19 2.3700998946762e-19 2.62542276307044e-19 2.8211927259788997e-19 2.9786866891011e-19 3.1090237582769994e-19 3.2187888794723397e-19 3.31235599489794e-19 3.3927371966257193e-19 3.46212746664426e-19 3.52216102512024e-19 3.5741516568935396e-19 3.6191087332435795e-19 3.6578493642536994e-19 3.69106248587652e-19 3.71930885993394e-19 3.74306913941616e-19 3.76274386848168e-19 3.7787015477563198e-19 3.7912305690341993e-19 3.8006033023430996e-19 3.80704405241178e-19 3.8107931457353396e-19 3.8119947782108397e-19 3.81071303690364e-19 3.80659544295426e-19 3.7991773651388395e-19 3.7879621287008395e-19 3.7722768194539797e-19 3.75143250144564e-19 3.72451593399444e-19 3.69048570228828e-19 3.6480921085526394e-19 3.59581308498522e-19 3.53180612845692e-19 3.4538121699137995e-19 3.35905944377904e-19 3.24407122675686e-19 3.1045376637017997e-19 2.93496328875924e-19 2.7283465900386e-19 2.47555516072608e-19 2.1646848284310597e-19 1.7797458703462199e-19 1.299113708442462e-19 6.927827787182339e-20 -8.17696479988044e-21 -1.086487245167688e-19 -2.41454427450336e-19 -4.2115616089640994e-19 -6.71622831912996e-19 -1.0343412022608898e-18 -1.587199486825368e-18 -2.4923459718503996e-18 ] } }