{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 6.26529 5.845492 5.585319 5.396289 5.247734 5.125341 5.021262 4.930721 4.8506 4.778744 4.713608 4.654041 4.599166 4.548297 4.500888 4.456499 4.414769 4.375396 4.338128 4.302751 4.269084 4.236968 4.206266 4.17686 4.156841 4.135772 4.113536 4.089997 4.064993 4.038328 4.009767 3.979018 3.94572 3.90941 3.86949 3.82516 3.775324 3.718419 3.652102 3.57263 3.473459 3.34149 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.26529e-10 5.845492000000001e-10 5.585319e-10 5.396289000000001e-10 5.247734000000001e-10 5.125341e-10 5.021262e-10 4.930721e-10 4.8506e-10 4.778744e-10 4.713608e-10 4.6540410000000003e-10 4.5991660000000005e-10 4.548297e-10 4.5008879999999997e-10 4.4564990000000003e-10 4.414769e-10 4.3753960000000005e-10 4.3381280000000004e-10 4.302751e-10 4.2690840000000004e-10 4.236968e-10 4.2062660000000003e-10 4.1768599999999995e-10 4.156841e-10 4.135772e-10 4.113536e-10 4.0899970000000004e-10 4.0649930000000003e-10 4.038328e-10 4.0097670000000003e-10 3.979018e-10 3.9457200000000003e-10 3.90941e-10 3.86949e-10 3.82516e-10 3.7753240000000003e-10 3.718419e-10 3.6521020000000004e-10 3.5726300000000004e-10 3.4734590000000003e-10 3.34149e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 2.62611e-29 1.02483e-06 0.00103869 0.0163109 0.0721194 0.183157 0.346575 0.549712 0.777076 1.0141 1.24866 1.47138 1.67541 1.85607 2.01038 2.13666 2.2342 2.30303 2.34366 2.35697 2.35051 2.32929 2.29001 2.22864 2.14011 2.01805 1.85434 1.63847 1.35667 0.990478 0.514735 -0.105917 -0.922673 -2.01274 -3.49882 -5.58983 -8.68221 -13.8621 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 4.207492045649088e-48 1.6419586662944643e-25 1.6641648342587521e-22 2.613294264420672e-21 1.1554801658612353e-20 2.934498633358656e-20 5.552743623537601e-20 8.807357145732097e-20 1.245012999784781e-19 1.62476731115328e-19 2.0005738593281282e-19 2.357410636312704e-19 2.6843027322545284e-19 2.9737519605682564e-19 3.2209838349239043e-19 3.423306698598528e-19 3.57958300619136e-19 3.6898608230010244e-19 3.754957259104128e-19 3.7762822299269763e-19 3.765932168956608e-19 3.731933981063232e-19 3.6690004833982086e-19 3.570674904179712e-19 3.428834207940288e-19 3.23327252960544e-19 2.970980195014272e-19 2.625118327882176e-19 2.1736249561407363e-19 1.5869206950167425e-19 8.246963829074882e-20 -1.696977411452736e-20 -1.4782851092433985e-19 -3.2247649717489923e-19 -5.605727604387456e-19 -8.955894940246465e-19 -1.3910433878875969e-18 -2.2209532535191683e-18 ] } }