{ "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" [ "Mg" "Mg" ] } "a" { "source-value" [ 4.6559 4.343937 4.150595 4.010121 3.899726 3.808773 3.731428 3.664145 3.604604 3.551207 3.502802 3.458537 3.417757 3.379955 3.344724 3.311738 3.280727 3.251467 3.223772 3.197483 3.172464 3.148598 3.125783 3.10393 3.089053 3.073396 3.056872 3.039379 3.020798 3.000982 2.979758 2.956908 2.932163 2.90518 2.875513 2.84257 2.805536 2.763248 2.713966 2.654907 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.6559e-10 4.343937000000001e-10 4.150595e-10 4.010121e-10 3.899726e-10 3.808773e-10 3.7314280000000003e-10 3.664145e-10 3.6046040000000004e-10 3.551207e-10 3.502802e-10 3.4585370000000004e-10 3.417757e-10 3.379955e-10 3.3447239999999997e-10 3.3117380000000003e-10 3.280727e-10 3.251467e-10 3.223772e-10 3.1974830000000003e-10 3.172464e-10 3.1485979999999997e-10 3.1257830000000005e-10 3.1039300000000003e-10 3.0890529999999997e-10 3.0733959999999997e-10 3.056872e-10 3.039379e-10 3.0207980000000004e-10 3.000982e-10 2.979758e-10 2.956908e-10 2.932163e-10 2.9051800000000003e-10 2.875513e-10 2.84257e-10 2.805536e-10 2.763248e-10 2.713966e-10 2.6549070000000005e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.101294 0.151604 0.195924 0.236512 0.274244 0.309663 0.342982 0.374305 0.403732 0.431323 0.457147 0.481179 0.50342 0.523917 0.542673 0.55965 0.57476 0.587973 0.599255 0.608568 0.615885 0.621187 0.624401 0.625482 0.624938 0.623106 0.619633 0.614038 0.605669 0.593646 0.576724 0.55317 0.520478 0.474924 0.41081 0.319008 0.184289 -0.0203202 -0.34701 -0.906803 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.622908786273152e-20 2.4289638441976318e-20 3.139048522536192e-20 3.7893399693864965e-20 4.393873251946752e-20 4.9613481892679047e-20 5.495177417552256e-20 5.99702720048544e-20 6.468499714688256e-20 6.910556266133184e-20 7.324302356688577e-20 7.709337442199233e-20 8.065677544431361e-20 8.394075686396736e-20 8.694579933393983e-20 8.9665814583072e-20 9.208670345710081e-20 9.420365942616384e-20 9.60112350897504e-20 9.750334217670144e-20 9.867565481014081e-20 9.952512885448897e-20 1.0004006842041408e-19 1.0021326371312256e-19 1.0012610530495104e-19 9.98325865480205e-20 9.927615060761664e-20 9.837973278827904e-20 9.703887117433153e-20 9.511257422314368e-20 9.240137094542592e-20 8.862760413279361e-20 8.338976832407424e-20 7.609121294568193e-20 6.58190177590848e-20 5.111071594481665e-20 2.9526352727061125e-20 -3.255654936998016e-21 -5.55971309183808e-20 -1.4528585662713025e-19 ] } }