{ "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" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 9.95022 9.283518 8.870324 8.570115 8.334188 8.139811 7.974517 7.830725 7.703479 7.589363 7.485917 7.391316 7.304165 7.223377 7.148085 7.077589 7.011315 6.948784 6.889597 6.833414 6.779945 6.72894 6.680182 6.63348 6.586267 6.537613 6.487429 6.435614 6.38206 6.326644 6.269234 6.20968 6.147815 6.083454 6.016387 5.946375 5.873148 5.796397 5.715766 5.63084 5.541137 5.446086 5.345011 5.237094 5.121343 4.99653 4.861114 4.713126 4.549989 4.368247 4.1631 3.927618 3.651247 3.31674 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.95022e-10 9.283518000000002e-10 8.870324e-10 8.570115e-10 8.334187999999999e-10 8.139811000000001e-10 7.974517e-10 7.830725e-10 7.703479e-10 7.589363e-10 7.485917e-10 7.391316e-10 7.304165000000001e-10 7.223377e-10 7.148085000000001e-10 7.077589e-10 7.011315e-10 6.948784e-10 6.889597000000001e-10 6.833414000000001e-10 6.779945e-10 6.72894e-10 6.680182000000001e-10 6.63348e-10 6.586267e-10 6.537613e-10 6.487429e-10 6.435614e-10 6.382060000000001e-10 6.326644e-10 6.269234e-10 6.20968e-10 6.147815e-10 6.083454e-10 6.016387e-10 5.946375e-10 5.873148e-10 5.796397e-10 5.715766000000001e-10 5.63084e-10 5.541137e-10 5.446086e-10 5.345011000000001e-10 5.237094000000001e-10 5.121343000000001e-10 4.996530000000001e-10 4.861114e-10 4.713126e-10 4.5499890000000004e-10 4.3682470000000005e-10 4.1631000000000003e-10 3.927618e-10 3.6512470000000003e-10 3.31674e-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" [ 2.60647 3.25985 3.70441 4.04685 4.3314 4.55379 4.73802 4.89346 5.02578 5.13905 5.23641 5.32084 5.3957 5.46209 5.51804 5.56422 5.60239 5.63371 5.65895 5.67868 5.69339 5.70348 5.70931 5.71119 5.7092 5.70283 5.69142 5.67418 5.65019 5.61837 5.57747 5.52598 5.46221 5.38435 5.29021 5.17582 5.03644 4.8675 4.66336 4.41694 4.12081 3.76197 3.3199 2.77475 2.09854 1.2535 0.196077 -1.17072 -2.95049 -5.33645 -8.59723 -13.1969 -19.9566 -30.3536 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.1760253312219796e-19 5.2228555003449e-19 5.93511914475594e-19 6.483768511302899e-19 6.939667872507601e-19 7.29597593414286e-19 7.591144935424679e-19 7.84018727141364e-19 8.05218728362452e-19 8.2336658309577e-19 8.38965374804394e-19 8.524925521252559e-19 8.644864464073799e-19 8.75123297080506e-19 8.84087475347736e-19 8.91486327043548e-19 8.976018352555259e-19 9.026198524732139e-19 9.066637462974299e-19 9.09824840796312e-19 9.12181642624926e-19 9.13798238848632e-19 9.14732307826254e-19 9.15033517033446e-19 9.147146838832799e-19 9.13694097367422e-19 9.11866013828028e-19 9.09103861311012e-19 9.05260239566046e-19 9.00162113516658e-19 8.936092110835979e-19 8.85359603595132e-19 8.75142523200114e-19 8.6266797592779e-19 8.475850850953139e-19 8.292577865789879e-19 8.06926648654296e-19 7.7985947659949995e-19 7.47152642793024e-19 7.07671806177996e-19 6.602265495153539e-19 6.027340431808979e-19 5.3190662072165995e-19 4.4456396151915e-19 3.3622317535143597e-19 2.008328410719e-19 3.14149987864818e-20 -1.87570022895648e-19 -4.727206136850659e-19 -8.549935498509299e-19 -1.3774281023123818e-18 -2.1143764821234597e-18 -3.19739982140844e-18 -4.86318286777824e-18 ] } }