{ "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" [ "Cr" "Cr" ] } "a" { "source-value" [ 4.29902 4.010969 3.832447 3.702741 3.600807 3.516826 3.44541 3.383284 3.328307 3.279003 3.234308 3.193436 3.155782 3.120877 3.088347 3.057889 3.029255 3.002238 2.976666 2.952392 2.929291 2.907254 2.886188 2.86601 2.852274 2.837817 2.822559 2.806408 2.789251 2.770954 2.751357 2.730258 2.70741 2.682496 2.655104 2.624686 2.590491 2.551445 2.505941 2.45141 2.383362 2.29281 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.29902e-10 4.0109690000000004e-10 3.832447e-10 3.702741e-10 3.6008070000000003e-10 3.516826e-10 3.44541e-10 3.383284e-10 3.3283070000000004e-10 3.279003e-10 3.234308e-10 3.193436e-10 3.155782e-10 3.1208770000000005e-10 3.088347e-10 3.057889e-10 3.029255e-10 3.0022380000000005e-10 2.9766659999999997e-10 2.952392e-10 2.929291e-10 2.907254e-10 2.886188e-10 2.8660100000000003e-10 2.852274e-10 2.837817e-10 2.822559e-10 2.8064079999999997e-10 2.7892510000000003e-10 2.7709540000000004e-10 2.751357e-10 2.730258e-10 2.70741e-10 2.682496e-10 2.655104e-10 2.624686e-10 2.590491e-10 2.5514450000000005e-10 2.505941e-10 2.45141e-10 2.383362e-10 2.29281e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.414682 0.959545 1.39542 1.75527 2.05821 2.31916 2.55131 2.76011 2.95146 3.12614 3.28346 3.42372 3.54771 3.65638 3.75076 3.83185 3.9006 3.95787 4.00434 4.04074 4.06791 4.08656 4.09733 4.1008 4.09914 4.09372 4.08373 4.06817 4.04577 4.01486 3.97327 3.91806 3.84526 3.74927 3.62203 3.45156 3.22086 2.90339 2.45305 1.78105 0.6875 -1.40113 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.643938054665856e-20 1.5373605656055362e-19 2.2357093001967364e-19 2.8122525571916163e-19 3.297615942696768e-19 3.7157039318945285e-19 4.0876492344132483e-19 4.422183712836288e-19 4.728760209226368e-19 5.008628421347712e-19 5.260682847331968e-19 5.485404140165376e-19 5.684058019378368e-19 5.858166552760704e-19 6.009379982231809e-19 6.139300484412481e-19 6.24945012709248e-19 6.341206782165697e-19 6.415659929734272e-19 6.473979158731393e-19 6.517510297518529e-19 6.547390891496449e-19 6.564646333702465e-19 6.57020588657664e-19 6.567546273386112e-19 6.558862476101377e-19 6.542856731659584e-19 6.517926863439937e-19 6.482038107134017e-19 6.432514827785088e-19 6.365880302126017e-19 6.277424130891648e-19 6.160785672897409e-19 6.006992739066816e-19 5.803131785836224e-19 5.5300087372884485e-19 5.160386590869888e-19 4.651743579064512e-19 3.9302193596534403e-19 2.85355667047584e-19 1.1014964268e-19 -2.244857728701504e-19 ] } }