{ "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" [ "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" [ 6.28662 5.865393 5.604334 5.41466 5.2656 5.142791 5.038356 4.947508 4.867113 4.795013 4.729656 4.669886 4.614824 4.563781 4.516211 4.471672 4.429799 4.390291 4.352897 4.3174 4.283618 4.251392 4.220586 4.19108 4.170993 4.149852 4.12754 4.103921 4.078831 4.052075 4.023417 3.992563 3.959152 3.922718 3.882661 3.83818 3.788174 3.731075 3.664532 3.584788 3.48528 3.35286 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.28662e-10 5.865393e-10 5.604333999999999e-10 5.41466e-10 5.2656e-10 5.142791e-10 5.038356e-10 4.947508e-10 4.867113e-10 4.795013e-10 4.729656e-10 4.669886e-10 4.614824e-10 4.563781e-10 4.5162110000000003e-10 4.471672e-10 4.429799e-10 4.3902910000000006e-10 4.3528969999999996e-10 4.3174000000000005e-10 4.2836179999999996e-10 4.2513920000000005e-10 4.220586e-10 4.1910800000000005e-10 4.170993e-10 4.149852e-10 4.12754e-10 4.1039209999999996e-10 4.0788310000000005e-10 4.0520750000000007e-10 4.0234170000000005e-10 3.9925630000000004e-10 3.9591520000000004e-10 3.9227180000000004e-10 3.8826610000000004e-10 3.83818e-10 3.7881740000000004e-10 3.7310750000000005e-10 3.664532e-10 3.584788e-10 3.48528e-10 3.35286e-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" [ 0.301927 1.51419 2.63387 3.58656 4.41635 5.12239 5.69865 6.15127 6.49662 6.75516 6.94694 7.08944 7.1982 7.2853 7.3587 7.42318 7.48121 7.53369 7.58051 7.62102 7.65425 7.67916 7.69475 7.70012 7.69736 7.68796 7.66995 7.64074 7.59701 7.53444 7.44738 7.32838 7.16759 6.95172 6.66271 6.27544 5.76035 5.06782 4.09781 2.64886 0.239791 -4.55053 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.837403805882816e-20 2.425999817449152e-19 4.219924936226496e-19 5.746302581096448e-19 7.075772719270081e-19 8.206973500619712e-19 9.13024380012192e-19 9.855420982228416e-19 1.0408732678221697e-18 1.082295942176333e-18 1.1130224854100352e-18 1.1358535022564352e-18 1.153278775184256e-18 1.167233733551424e-18 1.178993709948096e-18 1.1893245447990145e-18 1.1986219757295169e-18 1.2070301986354752e-18 1.2145315895740609e-18 1.2210220070649217e-18 1.2263460399758402e-18 1.2303370619382529e-18 1.2328348552900802e-18 1.2336952241354496e-18 1.2332530233881089e-18 1.2317469773645569e-18 1.228861457270496e-18 1.2241814993611394e-18 1.2171751809983808e-18 1.2071503618820353e-18 1.1932018122213504e-18 1.1741359104338305e-18 1.1483745125479872e-18 1.1137883258347777e-18 1.0674838193170369e-18 1.0054363253233153e-18 9.22909809762528e-19 8.119542722422657e-19 6.565415378480449e-19 4.243941563772288e-19 3.841875340782528e-20 -7.290752778249025e-19 ] } }