{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 8.33352 7.775143 7.429084 7.177653 6.980059 6.817264 6.678827 6.558398 6.451827 6.356252 6.269614 6.190383 6.117393 6.049731 5.986673 5.927631 5.872125 5.819754 5.770184 5.723129 5.678348 5.63563 5.594794 5.55568 5.529052 5.501028 5.471452 5.440142 5.406883 5.371416 5.333426 5.292527 5.248237 5.199941 5.146841 5.087877 5.02159 4.9459 4.85769 4.751983 4.620075 4.44454 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.33352e-10 7.775143000000001e-10 7.429084e-10 7.177653e-10 6.980059e-10 6.817264e-10 6.678827e-10 6.558398e-10 6.451827e-10 6.356252e-10 6.269614e-10 6.190383e-10 6.117393e-10 6.049731000000001e-10 5.986673e-10 5.927631e-10 5.872125e-10 5.819754e-10 5.770184e-10 5.723129000000001e-10 5.678348e-10 5.63563e-10 5.594794e-10 5.55568e-10 5.529052e-10 5.501028e-10 5.471452e-10 5.440142e-10 5.406883e-10 5.371416000000001e-10 5.333426e-10 5.292527e-10 5.248237e-10 5.199941e-10 5.146841000000001e-10 5.087876999999999e-10 5.02159e-10 4.9459e-10 4.85769e-10 4.751983e-10 4.620075e-10 4.4445400000000003e-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" [ 1.02352 1.55541 1.80624 1.9646 2.11922 2.31553 2.54334 2.76238 2.95568 3.12244 3.27606 3.42563 3.57257 3.7176 3.84618 3.95687 4.05367 4.14001 4.21735 4.28421 4.33879 4.37994 4.40676 4.41623 4.41141 4.39529 4.36513 4.31794 4.25076 4.15967 4.03978 3.88495 3.6868 3.43287 3.11265 2.71971 2.2475 1.6951 1.07767 0.419397 -0.391674 -1.37291 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6398598284316798e-19 2.4920415582899396e-19 2.89391552339616e-19 3.1476362151563994e-19 3.3953647663054794e-19 3.7098880613260194e-19 4.07487992031756e-19 4.425820690228919e-19 4.735521433581119e-19 5.00270040906696e-19 5.24882678358204e-19 5.48846434272942e-19 5.723888177329379e-19 5.9562518545584e-19 6.162259726158119e-19 6.339604657775579e-19 6.49469535594678e-19 6.63302728652634e-19 6.756939627399899e-19 6.864061157149139e-19 6.95150795783286e-19 7.01743752632196e-19 7.060407903645839e-19 7.075580516369819e-19 7.06785802499394e-19 7.04203093765386e-19 6.993709290372419e-19 6.91810257501396e-19 6.810468348741839e-19 6.66452607915078e-19 6.47244112250052e-19 6.224376114258299e-19 5.906904814231199e-19 5.50006410155958e-19 4.9870150998201e-19 4.357455813256139e-19 3.6008919849149996e-19 2.7158496122934e-19 1.7266176931627798e-19 6.71948073769698e-20 -6.27530930945316e-20 -2.19964432258494e-19 ] } }