{ "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" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" [ 8.30708 7.750474 7.405512 7.154879 6.957912 6.795633 6.657634 6.537588 6.431355 6.336083 6.249719 6.17074 6.097982 6.030535 5.967676 5.908821 5.853491 5.801286 5.751873 5.704968 5.660329 5.617746 5.57704 5.53805 5.498634 5.458015 5.416118 5.372859 5.328149 5.281884 5.233955 5.184235 5.132587 5.078854 5.022862 4.964412 4.903278 4.839202 4.771885 4.700984 4.626094 4.54674 4.462356 4.372261 4.275624 4.171422 4.058369 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.307079999999999e-10 7.750474e-10 7.405512000000001e-10 7.154879e-10 6.957912000000001e-10 6.795633e-10 6.657634e-10 6.537588000000001e-10 6.431355e-10 6.336083e-10 6.249719e-10 6.170740000000001e-10 6.097982e-10 6.030535000000001e-10 5.967676000000001e-10 5.908821e-10 5.853491e-10 5.801286e-10 5.751873e-10 5.704968000000001e-10 5.660329000000001e-10 5.617746e-10 5.577040000000001e-10 5.53805e-10 5.498634e-10 5.458015e-10 5.416118e-10 5.372859e-10 5.328149e-10 5.281884e-10 5.233955e-10 5.184235e-10 5.132587e-10 5.078854e-10 5.022862000000001e-10 4.964412000000001e-10 4.903278e-10 4.839202000000001e-10 4.771885e-10 4.700984000000001e-10 4.6260940000000003e-10 4.54674e-10 4.462356e-10 4.372261e-10 4.2756239999999996e-10 4.171422e-10 4.058369e-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" [ 2.64248 3.35303 3.76745 4.0591 4.28226 4.46084 4.6075 4.72976 4.83249 4.91999 5.0085 5.09823 5.18508 5.26672 5.34191 5.40989 5.46998 5.52183 5.56532 5.60049 5.62747 5.64646 5.65766 5.66134 5.65733 5.6443 5.62054 5.58558 5.53777 5.4741 5.39097 5.28405 5.14812 4.97636 4.74422 4.4299 4.01576 3.4795 2.79255 1.91786 0.80645 -0.607411 -2.41411 -4.74111 -7.79579 -11.9507 -17.6771 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.2337197118123195e-19 5.372146319101019e-19 6.0361203597633e-19 6.5033951750694e-19 6.860936912712839e-19 7.14705361601256e-19 7.382028841154999e-19 7.577910956427839e-19 7.742502562038659e-19 7.88269301751366e-19 8.024501671388999e-19 8.168264980757819e-19 8.307414021420719e-19 8.43821572182048e-19 8.55868338293094e-19 8.667599350510259e-19 8.763874144447318e-19 8.846947002920219e-19 8.91662566473288e-19 8.972974216950659e-19 9.01620094253598e-19 9.04662627681564e-19 9.064570655116439e-19 9.07046666512956e-19 9.06404193682722e-19 9.0431655752862e-19 9.005097858462359e-19 8.94908576333772e-19 8.87248569846618e-19 8.7704751121794e-19 8.63728616859498e-19 8.465981442887699e-19 8.248197573028079e-19 7.973007714372239e-19 7.60107843055548e-19 7.097482270956599e-19 6.43395683975184e-19 5.574773598002999e-19 4.474158359276699e-19 3.0727504792832394e-19 1.2920753464893e-19 -9.73179711434574e-20 -3.8678306339057396e-19 -7.596095661223739e-19 -1.2490232581570859e-18 -1.91471322999438e-18 -2.83218365768814e-18 ] } }