{ "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" [ [ 2.717363 2.851349 1.457488 ] [ 0.2108152 2.748454 1.624055 ] [ 2.409053 4.258926 3.949315 ] [ 4.77033 2.580775 2.438947 ] [ 3.623649 2.286945 4.240246 ] [ 4.139768 4.74377 1.918983 ] [ 5.145543 4.155434 3.91724 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.717363e-10 2.851349e-10 1.457488e-10 ] [ 2.108152e-11 2.748454e-10 1.624055e-10 ] [ 2.409053e-10 4.258926e-10 3.949315e-10 ] [ 4.770330000000001e-10 2.580775e-10 2.438947e-10 ] [ 3.623649e-10 2.286945e-10 4.240246e-10 ] [ 4.139768e-10 4.743769999999999e-10 1.918983e-10 ] [ 5.145543e-10 4.155434e-10 3.91724e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1786199 0.3685485 0.0187858 ] [ 1.7659844 0.1377114 0.1295387 ] [ 0.4710781 -0.1622998 -0.8456323 ] [ 1.7631433 -2.2104692 -2.2253233 ] [ -1.1326843 -0.2555357 1.5727 ] [ -0.9297205 0.8846238 -0.1382632 ] [ 0.2408189 1.2374211 1.4881943 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.490533898147416e-09 5.904797951957489e-10 3.009816981099719e-11 ] [ 2.829418941688509e-09 2.206379873154276e-10 2.075438783387358e-10 ] [ 7.547503246091154e-10 -2.600329472628731e-10 -1.354852312015678e-09 ] [ 2.824866997653652e-09 -3.541562102416672e-09 -3.565360994355772e-09 ] [ -1.814760319158646e-09 -4.094133276928337e-10 2.5197431922918e-09 ] [ -1.489576461250797e-09 1.417323582240289e-09 -2.215220683820688e-10 ] [ 3.858344146055826e-10 1.982567172838577e-09 2.384350134311986e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.083896 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057577225688606e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.2243616 3.083945 0.942973 ] [ 1.2348626 2.9523845 2.0292818 ] [ 1.9307726 4.0962633 3.8630529 ] [ 4.482401 1.8997723 2.4660571 ] [ 3.5624626 2.6196222 4.5426112 ] [ 3.4260486 5.0163887 2.2844383 ] [ 5.1556121 3.9572771 3.4178597 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2243616e-10 3.083945e-10 9.429729999999999e-11 ] [ 1.2348626e-10 2.9523845e-10 2.0292818e-10 ] [ 1.9307726e-10 4.096263300000001e-10 3.8630529e-10 ] [ 4.482401e-10 1.8997723e-10 2.4660571e-10 ] [ 3.5624626e-10 2.6196222e-10 4.5426112e-10 ] [ 3.4260486e-10 5.016388700000001e-10 2.2844383e-10 ] [ 5.1556121e-10 3.9572771e-10 3.417859700000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.2e-06 9.5e-06 6.13e-05 ] [ 1.95e-05 8.2e-06 -2.54e-05 ] [ -6.89e-05 -5.8e-06 1.55e-05 ] [ -9.7e-06 -4.39e-05 -3.8e-06 ] [ 4.94e-05 1.18e-05 -2.05e-05 ] [ -2.63e-05 4.7e-05 -4.25e-05 ] [ 3.71e-05 -2.67e-05 1.54e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.9226119608e-15 1.5220678023e-14 9.821342766419999e-14 ] [ 3.1242444363e-14 1.31378483988e-14 -4.06952865036e-14 ] [ -1.103899700826e-13 -9.2926244772e-15 2.4833737827e-14 ] [ -1.55411133498e-14 -7.03355542326e-14 -6.088271209199999e-15 ] [ 7.91475257196e-14 1.89056842812e-14 -3.2844620997e-14 ] [ -4.21372454742e-14 7.530230179799998e-14 -6.8092506945e-14 ] [ 5.94407531214e-14 -4.277811612779999e-14 2.46735201636e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.71121 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.638736999186714e-18 } }