{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14671 7.60085 7.262548 7.016754 6.823589 6.664443 6.529109 6.41138 6.307199 6.213766 6.12907 6.051615 5.980261 5.914116 5.852472 5.794753 5.740491 5.689294 5.640835 5.594836 5.551058 5.509298 5.469377 5.43114 5.392484 5.352649 5.311561 5.269138 5.22529 5.179919 5.132915 5.084155 5.033504 4.980808 4.925897 4.868575 4.808621 4.745781 4.679764 4.610232 4.536788 4.458965 4.37621 4.287854 4.193083 4.090892 3.980021 3.858856 3.725289 3.576488 3.408524 3.215725 2.989447 2.71557 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.14671e-10 7.600850000000001e-10 7.262548e-10 7.016754e-10 6.823589000000001e-10 6.664443000000001e-10 6.529109e-10 6.41138e-10 6.307199e-10 6.213766e-10 6.12907e-10 6.051615e-10 5.980260999999999e-10 5.914116e-10 5.852472e-10 5.794753e-10 5.740491e-10 5.689294e-10 5.640835000000001e-10 5.594836e-10 5.551058000000001e-10 5.509298e-10 5.469377e-10 5.43114e-10 5.392484e-10 5.352649000000001e-10 5.311561000000001e-10 5.269138e-10 5.22529e-10 5.179919e-10 5.132915e-10 5.084155e-10 5.033503999999999e-10 4.980807999999999e-10 4.925897000000001e-10 4.868575e-10 4.808621e-10 4.745781e-10 4.679764e-10 4.610232e-10 4.5367879999999996e-10 4.458965e-10 4.3762100000000004e-10 4.2878540000000006e-10 4.193083e-10 4.0908920000000004e-10 3.980021e-10 3.858856e-10 3.725289e-10 3.576488e-10 3.408524e-10 3.2157250000000003e-10 2.9894470000000005e-10 2.71557e-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" [ -0.00586013 0.283343 0.808162 1.3914 1.94171 2.41928 2.81669 3.14177 3.40651 3.62596 3.81082 3.96803 4.10155 4.21442 4.30923 4.38802 4.45252 4.50464 4.54612 4.57836 4.60238 4.61871 4.62785 4.63063 4.62795 4.61993 4.60662 4.58816 4.56475 4.53676 4.50397 4.46601 4.42251 4.37312 4.31402 4.21352 4.05864 3.84771 3.60127 3.33399 3.07331 2.85733 2.69671 2.40305 0.913118 -3.55142 -10.7696 -22.149 -39.6693 -66.0722 -104.701 -162.89 -260.545 -466.698 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -9.38896335820242e-22 4.53965534007462e-20 1.294818272886708e-19 2.2292685685476e-19 3.1109623920041397e-19 3.8761138871035197e-19 4.512834903221459e-19 5.03367048340218e-19 5.457830725487339e-19 5.809428387818639e-19 6.10560676037988e-19 6.357484949011019e-19 6.571407573182699e-19 6.752245249862279e-19 6.90414761653182e-19 7.03038311352468e-19 7.133723506417679e-19 7.21722895258176e-19 7.28368723936008e-19 7.335341414040239e-19 7.37382569678892e-19 7.39998924122214e-19 7.414633135656899e-19 7.41908718669942e-19 7.4147933533203e-19 7.40194389671562e-19 7.38061892571708e-19 7.35104274505344e-19 7.3135357900515e-19 7.26869086606584e-19 7.2161554942369795e-19 7.15533686921034e-19 7.08564218563134e-19 7.006510681678079e-19 6.91182204260868e-19 6.75080329089168e-19 6.502658173817759e-19 6.16471105640814e-19 5.76987064672518e-19 5.34164087598966e-19 4.92398547103854e-19 4.57794736162722e-19 4.3206057506741395e-19 3.8501105603336994e-19 1.462976323684812e-19 -5.69000214152028e-19 -1.72548014775264e-18 -3.5486610266466e-18 -6.3557225547136196e-18 -1.0585933499697478e-17 -1.67749495756434e-17 -2.6097855191225996e-17 -4.1743911110553e-17 -7.477326307345319e-17 ] } }