{ "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" [ 8.20731 7.65739 7.316571 7.068949 6.874347 6.714017 6.577677 6.459072 6.354115 6.259987 6.174661 6.096631 6.024746 5.958109 5.896006 5.837858 5.783192 5.731615 5.682795 5.636453 5.59235 5.550279 5.510061 5.47154 5.432597 5.392466 5.351072 5.308333 5.264159 5.21845 5.171096 5.121974 5.070946 5.017858 4.962539 4.90479 4.84439 4.781083 4.714575 4.644525 4.570535 4.492134 4.408763 4.319749 4.224273 4.121323 4.009627 3.887561 3.753 3.603092 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.20731e-10 7.657390000000001e-10 7.316571e-10 7.068949e-10 6.874347e-10 6.714017e-10 6.577677000000001e-10 6.459072e-10 6.354115e-10 6.259987e-10 6.174661e-10 6.096631000000001e-10 6.024746000000001e-10 5.958109e-10 5.896006e-10 5.837858e-10 5.783192e-10 5.731615e-10 5.682795e-10 5.636453000000001e-10 5.59235e-10 5.550278999999999e-10 5.510061e-10 5.471540000000001e-10 5.432597000000001e-10 5.392466e-10 5.351072000000001e-10 5.308333e-10 5.264159000000001e-10 5.21845e-10 5.171096000000001e-10 5.121974e-10 5.070946000000001e-10 5.017858000000001e-10 4.962539e-10 4.90479e-10 4.84439e-10 4.781083e-10 4.714575e-10 4.644525e-10 4.5705349999999997e-10 4.4921340000000004e-10 4.4087630000000004e-10 4.319749e-10 4.2242730000000003e-10 4.1213230000000006e-10 4.009627e-10 3.887561e-10 3.7530000000000004e-10 3.603092e-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" [ 0.659493 0.759387 0.568994 0.774143 1.13369 1.47506 1.70714 1.83216 1.91223 1.98822 2.06842 2.14797 2.2212 2.28461 2.3372 2.37978 2.41391 2.44134 2.46349 2.481 2.49426 2.50351 2.50894 2.51072 2.50881 2.50267 2.4916 2.47488 2.45183 2.42174 2.38332 2.33442 2.27179 2.19207 2.09331 1.9757 1.84196 1.69633 1.54326 1.38889 1.23862 1.08158 0.892416 0.660385 0.384756 0.0284373 -0.465593 -1.09223 -1.49957 0.557219 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0566242748865619e-19 1.216672107563358e-19 9.11628891686196e-20 1.240313825974662e-19 1.81637162819946e-19 2.36330666574804e-19 2.73513981896676e-19 2.9354439417494397e-19 3.06373022483382e-19 3.18547962725148e-19 3.31397419329828e-19 3.44142734453298e-19 3.5587547394408e-19 3.6603487598027397e-19 3.7446072289848e-19 3.8128279100605195e-19 3.8675101985789395e-19 3.9114579036495594e-19 3.94694611609266e-19 3.9750002289539996e-19 3.99624509112084e-19 4.0110652249853395e-19 4.01976504410796e-19 4.02261691851648e-19 4.0195567611455397e-19 4.00971939661278e-19 3.9919833012744e-19 3.96519490795392e-19 3.92826473654022e-19 3.8800552416231595e-19 3.8184996153448794e-19 3.74015317794228e-19 3.63980885535486e-19 3.51208333409238e-19 3.3538523697185395e-19 3.1654203757937998e-19 2.95114527276264e-19 2.7178202895532196e-19 2.47257511218684e-19 2.22524710519626e-19 1.9844880224050799e-19 1.7328822038017198e-19 1.4298080630077438e-19 1.05805341644409e-19 6.164470729913039e-20 4.5561577594048194e-21 -7.459622255539619e-20 -1.74994538495382e-19 -2.40257601504738e-19 8.92763261820846e-20 ] } }