{ "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" [ 6.80678 6.3507 6.06804 5.862672 5.701278 5.568307 5.455232 5.356866 5.26982 5.191754 5.120989 5.056273 4.996655 4.941389 4.889884 4.841658 4.796321 4.753545 4.713056 4.674622 4.638045 4.603153 4.569798 4.53785 4.516101 4.493211 4.469053 4.44348 4.416314 4.387345 4.356315 4.322909 4.286733 4.247285 4.203914 4.155753 4.10161 4.039787 3.967738 3.881397 3.773655 3.63028 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.806780000000001e-10 6.3507e-10 6.06804e-10 5.862672e-10 5.701278000000001e-10 5.568307e-10 5.455232e-10 5.356866e-10 5.26982e-10 5.191754e-10 5.120989e-10 5.056273e-10 4.996655e-10 4.941389e-10 4.889884000000001e-10 4.841658e-10 4.796321e-10 4.753545e-10 4.713056e-10 4.674622e-10 4.6380450000000003e-10 4.603153e-10 4.569798e-10 4.53785e-10 4.516101e-10 4.493211e-10 4.469053e-10 4.44348e-10 4.416314e-10 4.387345e-10 4.3563150000000004e-10 4.3229090000000004e-10 4.286733e-10 4.247285e-10 4.203914e-10 4.155753e-10 4.10161e-10 4.039787e-10 3.9677380000000004e-10 3.881397e-10 3.773655e-10 3.63028e-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" [ 1.85425 3.06372 3.7389 4.16086 4.4717 4.7293 4.95441 5.15512 5.33555 5.49902 5.64864 5.78694 5.91557 6.03535 6.14615 6.24662 6.33508 6.41017 6.47098 6.51705 6.54887 6.56819 6.57771 6.58039 6.5792 6.57526 6.5679 6.55641 6.54001 6.51771 6.48806 6.44894 6.39718 6.32786 6.23316 6.10031 5.90824 5.62128 5.17731 4.46681 3.27587 1.01121 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.9708359991184e-19 4.908620556677377e-19 5.990378167509121e-19 6.666432614421888e-19 7.164453195231361e-19 7.577173892749441e-19 7.937839871857729e-19 8.259412741418497e-19 8.54849346910944e-19 8.810401281311615e-19 9.050118947315713e-19 9.271699973972353e-19 9.477787952705856e-19 9.66969666834528e-19 9.84721783792992e-19 1.0008188523021696e-18 1.0149917066897663e-18 1.0270224509353537e-18 1.0367652869664384e-18 1.044146514658464e-18 1.0492446406658496e-18 1.0523400458972353e-18 1.0538653180402369e-18 1.0542947013746114e-18 1.0541040423567362e-18 1.0534727847681408e-18 1.052293582775232e-18 1.0504526818379328e-18 1.0478251121798208e-18 1.0442522583154368e-18 1.039501804634765e-18 1.0332340896941954e-18 1.0249412235049345e-18 1.0138349351695488e-18 9.986623225705728e-19 9.77377406163245e-19 9.466043998075392e-19 9.006283394970623e-19 8.294965040634049e-19 7.156618551555648e-19 5.248522326780096e-19 1.620137020719168e-19 ] } }