{ "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" [ [ -0.3776473 -0.3326908 -0.2410214 ] [ -4.600429 -1.9814881 5.8592365 ] [ -0.7521047 0.3930154 -0.5436949 ] [ 0.1325332 -2.2900907 -0.2075102 ] [ 0.0588016 -0.3679844 0.1419997 ] [ 5.2749172 4.6442051 -5.1386751 ] [ 0.2639288 -0.0649665 0.1296654 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.050576749682439e-10 -5.330294217152486e-10 -3.861588521924851e-10 ] [ -7.370699789450323e-09 -3.174693908213412e-09 9.387531736038018e-09 ] [ -1.205004566733798e-09 6.296800854943604e-10 -8.710952576281939e-10 ] [ 2.123415945198106e-10 -3.669129779051507e-09 -3.324679910175322e-10 ] [ 9.421054878563329e-11 -5.895760024991155e-10 2.275085995006138e-10 ] [ 8.451349014495799e-09 7.440836833420126e-09 -8.233065107107102e-09 ] [ 4.22860552915799e-10 -1.040878074352032e-10 2.077468724066803e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -4.944301158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.921643723030272e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.3799753 1.8625776 1.6891435 ] [ 1.763595 2.8960044 3.8377622 ] [ 1.6049074 4.1957871 1.8087153 ] [ 3.7368775 1.6316947 1.7986044 ] [ 3.7141181 1.5106286 4.1661078 ] [ 3.9614306 3.9609607 1.9178761 ] [ 3.9390841 3.8438359 4.2855877 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3799753e-10 1.8625776e-10 1.6891435e-10 ] [ 1.763595e-10 2.8960044e-10 3.8377622e-10 ] [ 1.6049074e-10 4.195787100000001e-10 1.8087153e-10 ] [ 3.7368775e-10 1.6316947e-10 1.7986044e-10 ] [ 3.7141181e-10 1.5106286e-10 4.1661078e-10 ] [ 3.9614306e-10 3.9609607e-10 1.9178761e-10 ] [ 3.9390841e-10 3.8438359e-10 4.2855877e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.18e-05 9.4e-06 4.91e-05 ] [ -5.2e-05 -1.7e-06 4.8e-06 ] [ 1.78e-05 -4.28e-05 -1.5e-05 ] [ -2.73e-05 3.82e-05 -6.48e-05 ] [ 9.7e-06 -1.7e-05 1.6e-05 ] [ 4.5e-05 -4.9e-06 1.98e-05 ] [ -4.9e-06 1.87e-05 -9.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.890568412544e-14 1.506046023552e-14 7.866687208128001e-14 ] [ -8.33131842816e-14 -2.72370025536e-15 7.69044777984e-15 ] [ 2.851874385024e-14 -6.857315937023999e-14 -2.4032649312e-14 ] [ -4.373942174784e-14 6.120314691456e-14 -1.0382104502784e-13 ] [ 1.554111322176e-14 -2.72370025536e-14 2.56348259328e-14 ] [ 7.209794793600001e-14 -7.850665441919999e-15 3.172309709184e-14 ] [ -7.850665441919999e-15 2.996070280896e-14 -1.586154854592e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.141285158928927 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.304377674490194e-18 } }