{ "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 5.47475 5.107921 4.880575 4.715396 4.585585 4.478636 4.387688 4.308572 4.23856 4.175771 4.118853 4.066802 4.018851 3.9744 3.932974 3.894186 3.85772 3.823315 3.79075 3.759837 3.730417 3.702354 3.675526 3.64983 3.632337 3.613926 3.594496 3.573927 3.552077 3.528777 3.503819 3.47695 3.447853 3.416125 3.381241 3.342504 3.298957 3.249231 3.191282 3.121837 3.035179 2.91986 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.47475e-10 5.107921e-10 4.880575000000001e-10 4.715396e-10 4.585585e-10 4.478636e-10 4.387688e-10 4.308572e-10 4.23856e-10 4.1757710000000003e-10 4.1188529999999996e-10 4.066802e-10 4.018851e-10 3.9744e-10 3.932974e-10 3.894186e-10 3.85772e-10 3.823315e-10 3.79075e-10 3.759837e-10 3.730417e-10 3.7023540000000004e-10 3.6755260000000004e-10 3.6498300000000004e-10 3.6323370000000004e-10 3.6139260000000003e-10 3.594496e-10 3.573927e-10 3.5520770000000005e-10 3.528777e-10 3.503819e-10 3.47695e-10 3.447853e-10 3.4161250000000004e-10 3.3812410000000003e-10 3.342504e-10 3.2989570000000004e-10 3.249231e-10 3.191282e-10 3.1218370000000004e-10 3.035179e-10 2.91986e-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" [ 1.03913 1.48847 1.84165 2.13584 2.38791 2.60755 2.80085 2.97173 3.12344 3.25834 3.37826 3.48467 3.57879 3.66163 3.73405 3.79679 3.85049 3.8957 3.93292 3.96259 3.9851 4.00079 4.01 4.01301 4.01155 4.00673 3.99778 3.9837 3.96322 3.93467 3.89583 3.84353 3.77333 3.67884 3.55069 3.37457 3.12777 2.77225 2.24001 1.3981 -0.0477321 -2.87828 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6648697919719042e-19 2.384791834762176e-19 2.95064857369632e-19 3.4219929137694723e-19 3.8258535745745285e-19 4.1777556475670398e-19 4.48745638836768e-19 4.761236329329984e-19 5.004302544471552e-19 5.220436170617472e-19 5.412569190983808e-19 5.583056805203136e-19 5.733853668752833e-19 5.866577980019905e-19 5.982607610898241e-19 6.083128172087232e-19 6.169165056624193e-19 6.24159946165056e-19 6.301232475476737e-19 6.348769055815873e-19 6.384834051550081e-19 6.409972202730433e-19 6.424728249408e-19 6.429550801036609e-19 6.4272116231702395e-19 6.419489131857984e-19 6.405149651101824e-19 6.38259100428096e-19 6.349778427086977e-19 6.304036284563136e-19 6.241807744611264e-19 6.158013907343424e-19 6.045541108563264e-19 5.894151439663872e-19 5.688832505708352e-19 5.406657159253056e-19 5.011239969239616e-19 4.441634137012801e-19 3.588891652358208e-19 2.24000313354048e-19 -7.647525468168768e-21 -4.611512924116225e-19 ] } }