{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.87744 7.349623 7.022503 6.784833 6.598053 6.444168 6.313307 6.19947 6.098731 6.008387 5.92649 5.851596 5.782601 5.718642 5.659035 5.603224 5.550756 5.501251 5.454394 5.409915 5.367584 5.327204 5.288603 5.25163 5.22646 5.199969 5.172011 5.142415 5.110977 5.07745 5.04154 5.002879 4.961012 4.915359 4.865166 4.809429 4.74677 4.675222 4.59184 4.491918 4.367228 4.2013 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.87744e-10 7.349623e-10 7.022503e-10 6.784833e-10 6.598053000000001e-10 6.444168e-10 6.313307e-10 6.19947e-10 6.098731e-10 6.008387e-10 5.92649e-10 5.851596000000001e-10 5.782601e-10 5.718642e-10 5.659035000000001e-10 5.603224e-10 5.550756e-10 5.501251e-10 5.454393999999999e-10 5.409915e-10 5.367584e-10 5.327204e-10 5.288603000000001e-10 5.25163e-10 5.22646e-10 5.199969e-10 5.172011000000001e-10 5.142415e-10 5.110977e-10 5.07745e-10 5.041540000000001e-10 5.002879e-10 4.961012e-10 4.915359e-10 4.865166e-10 4.809429e-10 4.74677e-10 4.675222e-10 4.5918400000000005e-10 4.4919180000000003e-10 4.367228e-10 4.2013e-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" [ 0.877401 1.26143 1.54977 1.79757 2.01051 2.18694 2.3272 2.43913 2.5316 2.61072 2.67993 2.74108 2.79518 2.84289 2.88474 2.92117 2.9525 2.97902 3.00094 3.01848 3.03181 3.04112 3.04657 3.04835 3.04749 3.04466 3.03944 3.03127 3.01953 3.00342 2.98193 2.95365 2.91664 2.8681 2.80394 2.71801 2.60104 2.43847 2.20597 1.83354 1.06329 -0.880014 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.405751380848234e-19 2.02103367142662e-19 2.48300528207418e-19 2.8800246519793795e-19 3.22119214442334e-19 3.5038641679599594e-19 3.7285854626447996e-19 3.90791709328842e-19 4.0560703666343997e-19 4.18283458191648e-19 4.29372122675562e-19 4.39169432792472e-19 4.47837208382412e-19 4.55481193103226e-19 4.62186302316516e-19 4.68023031794178e-19 4.730426511884999e-19 4.772916236218679e-19 4.80803594803596e-19 4.836138126196319e-19 4.85749514072754e-19 4.8724114051900795e-19 4.88114326784538e-19 4.8839951422539e-19 4.88261727034866e-19 4.87808311047444e-19 4.86971974844496e-19 4.85662996534518e-19 4.837820411662019e-19 4.81200934608828e-19 4.77757857022362e-19 4.7322690150141e-19 4.67297245778976e-19 4.5952028039754e-19 4.492407151137959e-19 4.35473211297834e-19 4.1673255120993593e-19 3.90685965670998e-19 3.53435358930498e-19 2.93765494550436e-19 1.70357839316586e-19 -1.4099378683928758e-19 ] } }