{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.175063 2.090387 1.108777 ] [ 2.290473 2.943113 3.7458 ] [ 1.562387 4.346014 1.227002 ] [ 3.205072 1.346551 2.036178 ] [ 4.414518 1.768723 4.119804 ] [ 3.44377 3.554925 2.238453 ] [ 4.008705 3.851776 5.027783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.175063e-10 2.090387e-10 1.108777e-10 ] [ 2.290473e-10 2.943113e-10 3.7458e-10 ] [ 1.562387e-10 4.346014000000001e-10 1.227002e-10 ] [ 3.205072e-10 1.346551e-10 2.036178e-10 ] [ 4.414518e-10 1.768723e-10 4.119804e-10 ] [ 3.44377e-10 3.554925e-10 2.238453e-10 ] [ 4.008705e-10 3.851776e-10 5.027783000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.414344 4.7249663 2.7149999 ] [ -2.8026261 -0.126096 7.4044537 ] [ -0.0695988 -6.9053748 -0.2408982 ] [ -3.4881103 1.4557478 -0.1442923 ] [ -2.1819542 7.3502633 1.168901 ] [ 2.470241 3.1314472 -6.1631446 ] [ -0.3422955 -9.6309537 -4.7400195 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.027691199456876e-08 7.570230539927879e-09 4.349909365254338e-09 ] [ -4.490302014263883e-09 -2.020280631763968e-10 1.186324260793606e-08 ] [ -1.11509570195735e-10 -1.106363006242148e-08 -3.859614640328026e-10 ] [ -5.588568773431675e-09 2.332365090941034e-09 -2.311817496214599e-10 ] [ -3.495876006896367e-09 1.177642001598426e-08 1.872785854229741e-09 ] [ 3.957762377941613e-09 5.017131493109622e-09 -9.874446188729768e-09 ] [ -5.484178475050464e-10 -1.543048885414726e-08 -7.594348425036105e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.1703416 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.469250691626967e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7539048 1.6561106 1.0374744 ] [ 1.9444062 4.3136101 4.9978167 ] [ 1.8466573 3.856997 1.1148625 ] [ 3.1951822 0.3537734 2.0748799 ] [ 4.378256 1.2475586 3.710816 ] [ 3.2436948 5.4214732 1.7726576 ] [ 3.7378866 3.051966 4.7952899 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7539048e-10 1.6561106e-10 1.0374744e-10 ] [ 1.9444062e-10 4.3136101e-10 4.9978167e-10 ] [ 1.8466573e-10 3.856997e-10 1.1148625e-10 ] [ 3.1951822e-10 3.537734e-11 2.0748799e-10 ] [ 4.378256000000001e-10 1.2475586e-10 3.710816e-10 ] [ 3.2436948e-10 5.421473200000001e-10 1.7726576e-10 ] [ 3.7378866e-10 3.051966e-10 4.7952899e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0648308 0.3237722 -0.1722879 ] [ 0.2477889 -0.0138342 0.0919858 ] [ -0.1276031 -0.3635484 -0.1431943 ] [ 0.434974 0.0489059 0.4586879 ] [ -0.2623589 -0.5467629 -0.471498 ] [ -0.0107996 0.2403405 -0.0010264 ] [ -0.2171705 0.3111269 0.237333 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.038703920677606e-10 5.187402493049817e-10 -2.760356454267283e-10 ] [ 3.970015824737492e-10 -2.216483180747136e-11 1.473774982055847e-10 ] [ -2.044427035616045e-10 -5.824687470092468e-10 -2.294225596918214e-10 ] [ 6.969051734558593e-10 7.835588959918273e-11 7.348990296238482e-10 ] [ -4.203452958388051e-10 -8.760107355008084e-10 -7.554230723539584e-10 ] [ -1.730286663399168e-11 3.850679301313824e-10 -1.64447408358912e-12 ] [ -3.479454978274464e-10 4.984802452819794e-10 3.802493839443264e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.777632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.527855312198595e-18 } }