{ "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" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" ] } "a" { "source-value" [ 12.6086 11.763783 11.240198 10.859787 10.560829 10.314522 10.105068 9.922861 9.76162 9.617016 9.485934 9.366059 9.255625 9.153254 9.057847 8.968518 8.884537 8.805301 8.730301 8.659109 8.591355 8.526723 8.464938 8.40576 8.345933 8.28428 8.220688 8.15503 8.087167 8.016946 7.944197 7.868732 7.790339 7.708783 7.623797 7.53508 7.442289 7.345032 7.242858 7.135243 7.021573 6.901128 6.773048 6.636299 6.489622 6.331462 6.159867 5.972341 5.765619 5.53532 5.275364 4.976968 4.626758 4.20288 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.26086e-09 1.1763783000000001e-09 1.1240198e-09 1.0859787000000002e-09 1.0560829e-09 1.0314522e-09 1.0105067999999999e-09 9.922860999999999e-10 9.76162e-10 9.617016e-10 9.485934e-10 9.366059e-10 9.255625e-10 9.153254000000001e-10 9.057847000000001e-10 8.968518e-10 8.884537e-10 8.805301e-10 8.730301000000001e-10 8.659109000000001e-10 8.591355e-10 8.526723000000001e-10 8.464938e-10 8.405760000000001e-10 8.345933e-10 8.284280000000001e-10 8.220688000000001e-10 8.155030000000001e-10 8.087167000000002e-10 8.016946000000001e-10 7.944197e-10 7.868732e-10 7.790339e-10 7.708783000000001e-10 7.623797e-10 7.53508e-10 7.442289e-10 7.345032e-10 7.242858e-10 7.135243000000001e-10 7.021573000000001e-10 6.901128e-10 6.773048e-10 6.636299000000001e-10 6.489622e-10 6.331462000000001e-10 6.159867e-10 5.972341000000001e-10 5.765619e-10 5.53532e-10 5.275364e-10 4.976968000000001e-10 4.626758e-10 4.2028800000000004e-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" [ 0.369631 0.554052 0.716137 0.86469 1.00355 1.13362 1.25633 1.37167 1.48002 1.58158 1.67659 1.76523 1.84726 1.92265 1.99161 2.05404 2.10959 2.15813 2.19954 2.23369 2.26043 2.27962 2.29143 2.29542 2.29092 2.27586 2.24746 2.2024 2.13601 2.0425 1.9144 1.74197 1.51242 1.20889 0.808468 0.28022 -0.417924 -1.34592 -2.58807 -4.26512 -6.55655 -9.732 -14.2109 -20.6604 -30.1816 -44.6679 -67.5308 -105.289 -171.284 -295.315 -551.731 -1155.32 -2866.18 -9315.07 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.92214151402054e-20 8.876891684209679e-20 1.147377968142858e-19 1.38538611365346e-19 1.6078643610506998e-19 1.81625947583508e-19 2.0128625705932197e-19 2.19765762355878e-19 2.3712534618526795e-19 2.5339705208017196e-19 2.68619332279806e-19 2.82821025963582e-19 2.9596368089228397e-19 3.0804249053601e-19 3.19091100604074e-19 3.29093489330136e-19 3.3799358053200595e-19 3.4577054591344195e-19 3.5240515935483595e-19 3.57876592559946e-19 3.62160812879262e-19 3.6523538983990797e-19 3.67127560444662e-19 3.6776682892162796e-19 3.6704584943632796e-19 3.6463297142552403e-19 3.6008278978496394e-19 3.5286338187216e-19 3.42226531199034e-19 3.272445774945e-19 3.0672069481296e-19 2.79094363112898e-19 2.42316398479428e-19 1.93685531107626e-19 1.2953085389367118e-19 4.4896193637948e-20 -6.695880675878159e-20 -2.1564015752332798e-19 -4.14654528115638e-19 -6.833475605206079e-19 -1.05047512096527e-18 -1.5592383002087999e-18 -2.27683719281106e-18 -3.31016101290936e-18 -4.83562542967344e-18 -7.15658656698486e-18 -1.081962698353272e-17 -1.6869157561722598e-17 -2.7442722257805597e-17 -4.7314679266970997e-17 -8.839705164534539e-17 -1.8510267087928798e-16 -4.592126624838119e-16 -1.492438749807438e-15 ] } }