{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 6.79749 6.342033 6.059759 5.854672 5.693498 5.560709 5.447789 5.349557 5.26263 5.184671 5.114002 5.049375 4.989838 4.934648 4.883213 4.835053 4.789778 4.74706 4.706626 4.668245 4.631718 4.596874 4.563564 4.53166 4.499406 4.466169 4.431885 4.396488 4.359902 4.322045 4.282825 4.242141 4.199878 4.15591 4.110093 4.062264 4.01224 3.959807 3.904724 3.846707 3.785426 3.720492 3.651443 3.57772 3.498644 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.79749e-10 6.342033e-10 6.059758999999999e-10 5.854672e-10 5.693498e-10 5.560709e-10 5.447789e-10 5.349557000000001e-10 5.26263e-10 5.184671e-10 5.114002000000001e-10 5.049375e-10 4.989838e-10 4.934648e-10 4.883213e-10 4.835053000000001e-10 4.789778000000001e-10 4.747060000000001e-10 4.706626e-10 4.668245e-10 4.631718e-10 4.596874e-10 4.5635640000000006e-10 4.5316599999999996e-10 4.499406e-10 4.466169e-10 4.4318850000000004e-10 4.396488e-10 4.359902e-10 4.322045e-10 4.282825e-10 4.2421410000000004e-10 4.1998780000000004e-10 4.1559100000000007e-10 4.110093e-10 4.062264e-10 4.01224e-10 3.9598070000000003e-10 3.904724e-10 3.846707e-10 3.785426e-10 3.7204920000000003e-10 3.651443e-10 3.57772e-10 3.4986440000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.49051 2.25467 2.88202 3.39662 3.83336 4.2092 4.53848 4.83066 5.09093 5.32058 5.51944 5.6887 5.83029 5.94758 6.04383 6.12199 6.18472 6.23436 6.27304 6.30266 6.32475 6.34001 6.34889 6.35177 6.34917 6.33937 6.32158 6.2945 6.25629 6.20456 6.13677 6.04986 5.94018 5.80319 5.63331 5.42287 5.16196 4.83721 4.43133 3.92236 3.28352 2.47761 1.45611 0.150231 -1.53712 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.3880602947433397e-19 3.61237959138078e-19 4.617505102720679e-19 5.4419851985770795e-19 6.14171982171024e-19 6.7438818878328e-19 7.271446609876319e-19 7.7395705787984395e-19 8.15656909132962e-19 8.524508955327719e-19 8.84311780076496e-19 9.114302217835799e-19 9.34115440744386e-19 9.52907370484572e-19 9.68328320586822e-19 9.808509331581659e-19 9.909013871832481e-19 9.988545919944239e-19 1.005051811214736e-18 1.009797458404644e-18 1.0133366665891499e-18 1.015781588132634e-18 1.0172043209836259e-18 1.017665747854218e-18 1.0172491819293779e-18 1.015679048828058e-18 1.0128287765961719e-18 1.0084900822713e-18 1.002368165352786e-18 9.94080105625104e-19 9.83218950223218e-19 9.692944330971239e-19 9.517217597754119e-19 9.297735420662459e-19 9.02555765407854e-19 8.68839560321958e-19 8.270371697642639e-19 7.750064835751139e-19 7.09977338354322e-19 6.284313542136239e-19 5.26077902127168e-19 3.9695688501647395e-19 2.3329454185337396e-19 2.40696597902454e-20 -2.4627377476540797e-19 ] } }