{ "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 5.516138 5.47539 5.433359 5.389963 5.34511 5.298698 5.250616 5.200738 5.148925 5.095022 5.038851 4.980215 4.918886 4.854606 4.787075 4.715948 4.640819 4.561213 4.47656 4.386178 4.289233 4.184699 4.071286 3.947342 3.810712 3.658499 3.486684 3.289464 3.057997 2.77784 ] "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 5.516138e-10 5.47539e-10 5.433359e-10 5.389963e-10 5.345110000000001e-10 5.298698e-10 5.250616e-10 5.200738e-10 5.148925e-10 5.095022e-10 5.038851e-10 4.980215000000001e-10 4.918886e-10 4.854606000000001e-10 4.787075e-10 4.715948e-10 4.640819e-10 4.561213000000001e-10 4.4765600000000005e-10 4.3861780000000005e-10 4.289233e-10 4.184699e-10 4.071286e-10 3.947342e-10 3.8107120000000003e-10 3.658499e-10 3.486684e-10 3.2894640000000003e-10 3.057997e-10 2.77784e-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 4.40544 4.36995 4.30567 4.20981 4.07911 3.91002 3.69827 3.43738 3.12589 2.76899 2.37252 1.94526 1.50082 1.05715 0.629698 0.205154 -0.258645 -0.747384 -1.20967 -1.65989 -2.12661 -2.64252 -3.219 -3.88104 -4.73541 -5.70996 -7.06369 -11.0751 -17.6423 -33.5815 ] "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 7.058293030488959e-19 7.0014317817483e-19 6.898443867714779e-19 6.74485921557954e-19 6.535454729515739e-19 6.264542682472679e-19 5.925281780223179e-19 5.50728991817892e-19 5.008227918454259e-19 4.43641107777966e-19 3.80119610769768e-19 3.1166501190548396e-19 2.40457873583988e-19 1.6937410286331e-19 1.008887422076532e-19 3.28692945171636e-20 -4.1439497550093e-20 -1.197441181425456e-19 -1.93810500885078e-19 -2.65943697301026e-19 -3.4072048516307396e-19 -4.23378379887768e-19 -5.157406584845999e-19 -6.21811160361936e-19 -7.586963254409939e-19 -9.14836449307464e-19 -1.131727906781946e-18 -1.77442664392134e-18 -2.8266080830018198e-18 -5.380349463467099e-18 ] } }