{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.67426 8.093053 7.732843 7.471132 7.265459 7.096007 6.95191 6.826557 6.715629 6.616146 6.525965 6.443495 6.36752 6.297092 6.231455 6.169999 6.112223 6.057711 6.006114 5.957136 5.910524 5.866059 5.823553 5.78284 5.741681 5.699267 5.655518 5.610347 5.56366 5.515351 5.465303 5.413385 5.359454 5.303347 5.244879 5.183845 5.120009 5.0531 4.982808 4.908773 4.830573 4.747711 4.659597 4.565519 4.464611 4.355803 4.237752 4.108741 3.966524 3.808087 3.629247 3.423963 3.183032 2.89142 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.67426e-10 8.093052999999999e-10 7.732843000000001e-10 7.471132e-10 7.265459e-10 7.096007e-10 6.95191e-10 6.826557000000001e-10 6.715629e-10 6.616146e-10 6.525965e-10 6.443495000000001e-10 6.36752e-10 6.297092e-10 6.231455000000001e-10 6.169999e-10 6.112223e-10 6.057711e-10 6.006114e-10 5.957136e-10 5.910524e-10 5.866059e-10 5.823553000000001e-10 5.78284e-10 5.741681e-10 5.699267e-10 5.655518e-10 5.610347e-10 5.56366e-10 5.515351e-10 5.465303e-10 5.413385000000001e-10 5.359454000000001e-10 5.303347e-10 5.244879000000001e-10 5.183845e-10 5.120009e-10 5.0531e-10 4.982808e-10 4.908773e-10 4.830573000000001e-10 4.747711e-10 4.659597e-10 4.5655190000000003e-10 4.4646109999999996e-10 4.355803e-10 4.237752000000001e-10 4.108741e-10 3.966524e-10 3.808087e-10 3.629247e-10 3.4239630000000004e-10 3.183032e-10 2.89142e-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" [ 0.0158913 0.0638032 0.10905 0.176728 0.26613 0.355923 0.430225 2.09513 2.21824 2.33447 2.43714 2.52193 2.59089 2.64707 2.69288 2.72994 2.75969 2.78333 2.80186 2.81607 2.8265 2.83358 2.83762 2.83891 2.83761 2.83359 2.82667 2.81662 2.8032 2.78619 2.76667 2.74706 2.73023 2.71934 2.71281 2.69523 2.64484 2.5342 2.32863 1.98443 1.45142 0.671602 -0.44907 -2.03063 -3.9444 -5.87063 -7.63455 -9.5389 -12.2609 -16.1899 -22.1564 -32.2032 -50.1593 -91.8794 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.5460669543884197e-21 1.022239962144288e-20 1.7471736193769997e-20 2.8314947217355196e-20 4.2638726760641994e-20 5.70251514103182e-20 6.8929644236265e-20 3.35676833119242e-19 3.55401229660416e-19 3.7402332867739796e-19 3.9047287617867593e-19 4.0405773185836195e-19 4.1510634192642596e-19 4.2410737025623794e-19 4.31446941416592e-19 4.3738460802219595e-19 4.42151083508346e-19 4.459386290711219e-19 4.48907462373924e-19 4.51184155370838e-19 4.528552256000999e-19 4.53989566656972e-19 4.546368460171079e-19 4.54843526802894e-19 4.54635243840474e-19 4.53991168833606e-19 4.52882462602878e-19 4.51272275085708e-19 4.4912215404287995e-19 4.463968515884459e-19 4.432694027988779e-19 4.40127534419604e-19 4.37431071144582e-19 4.356863007901559e-19 4.34640079448154e-19 4.3182345292558196e-19 4.2375008486685595e-19 4.0602360258827994e-19 3.73087657523142e-19 3.1794073778086197e-19 2.3254312101202795e-19 1.0760250317476679e-19 -7.1948946103038e-20 -3.2534279382994196e-19 -6.319625515149599e-19 -9.40578621285942e-19 -1.2231897621104699e-18 -1.5283002694062599e-18 -1.96441274918106e-18 -2.59390794867966e-18 -3.54984663735576e-18 -5.15952145800288e-18 -8.03640584377962e-18 -1.472070278259396e-17 ] } }