{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.88291 8.287722 7.918849 7.650842 7.440222 7.266694 7.11913 6.990762 6.877166 6.77529 6.68294 6.598486 6.520684 6.448562 6.381346 6.318412 6.259246 6.203423 6.150585 6.100428 6.052695 6.007161 5.963632 5.92194 5.893557 5.863685 5.832159 5.798786 5.763334 5.725529 5.685035 5.64144 5.594229 5.542749 5.486149 5.423298 5.352641 5.271961 5.177937 5.065261 4.924656 4.73755 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.882910000000002e-10 8.287722000000001e-10 7.918849e-10 7.650842e-10 7.440222000000001e-10 7.266694e-10 7.11913e-10 6.990762000000001e-10 6.877166e-10 6.77529e-10 6.68294e-10 6.598486e-10 6.520684e-10 6.448562e-10 6.381346e-10 6.318412e-10 6.259246000000001e-10 6.203423000000001e-10 6.150585000000001e-10 6.100428000000001e-10 6.052695e-10 6.007161000000001e-10 5.963632e-10 5.92194e-10 5.893557000000001e-10 5.863685000000001e-10 5.832159e-10 5.798786e-10 5.763334000000001e-10 5.725529e-10 5.685035e-10 5.64144e-10 5.594229e-10 5.542749e-10 5.486149e-10 5.423298e-10 5.352641e-10 5.271961e-10 5.177937000000001e-10 5.065261e-10 4.924656e-10 4.73755e-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" [ 0.330226 0.653036 0.882811 1.06602 1.22006 1.35337 1.47087 1.57488 1.667 1.74877 1.82151 1.88637 1.94434 1.99623 2.04274 2.08447 2.12194 2.15535 2.18424 2.20815 2.22683 2.24017 2.24814 2.25077 2.24948 2.24555 2.23931 2.23133 2.22247 2.21394 2.20741 2.20362 2.20266 2.20448 2.20883 2.215 2.22149 2.22459 2.21152 2.15123 1.98769 1.74233 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.2908037678030085e-20 1.0462790117407487e-19 1.414419144785069e-19 1.707952321305216e-19 1.954751607973248e-19 2.168337773292096e-19 2.356593526236096e-19 2.5232359165655044e-19 2.6708284268736e-19 2.801838409156416e-19 2.918380736553408e-19 3.0222979121784964e-19 3.115176090886272e-19 3.198313035739584e-19 3.2728302703729916e-19 3.339689100758976e-19 3.399722658740352e-19 3.45325137964128e-19 3.4995382622161923e-19 3.53784630521952e-19 3.567774964496064e-19 3.589148000617536e-19 3.601917348285312e-19 3.606131072798016e-19 3.6040642649571846e-19 3.5977677108374404e-19 3.5877701287236486e-19 3.574984759289664e-19 3.560789474429376e-19 3.5471229078539524e-19 3.536660694520128e-19 3.530588445127296e-19 3.529050355571328e-19 3.5319663170211847e-19 3.538935785321664e-19 3.548821215072e-19 3.5592193413409923e-19 3.564186088865472e-19 3.5432456404316163e-19 3.446650411963584e-19 3.184630447397952e-19 2.791520391718464e-19 ] } }