{ "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" [ [ -3.490533869389634e-09 5.904797903309089e-10 3.009816956302464e-11 ] [ 2.829418918377516e-09 2.206379854976371e-10 2.07543876628825e-10 ] [ 7.547503183908845e-10 -2.600329451205158e-10 -1.354852300853332e-09 ] [ 2.824866974380161e-09 -3.541562073238479e-09 -3.565360964981504e-09 ] [ -1.814760304207213e-09 -4.094133243197626e-10 2.51974317153216e-09 ] [ -1.489576448978486e-09 1.417323570563255e-09 -2.215220665569946e-10 ] [ 3.858344114267731e-10 1.982567156504619e-09 2.384350114667821e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.083896 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057577200497864e-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" [ [ -1.92261194496e-15 1.52206778976e-14 9.821342685504e-14 ] [ 3.12424441056e-14 1.313784829056e-14 -4.069528616832e-14 ] [ -1.1038996917312e-13 -9.292624400640001e-15 2.48337376224e-14 ] [ -1.554111322176e-14 -7.033555365312e-14 -6.08827115904e-15 ] [ 7.914752506752001e-14 1.890568412544e-14 -3.28446207264e-14 ] [ -4.213724512704e-14 7.530230117759999e-14 -6.8092506384e-14 ] [ 5.944075263168e-14 -4.277811577536e-14 2.467351996032e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.71121 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.638736969207917e-18 } }