{ "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" [ [ 2.700129 2.133533 1.415237 ] [ 2.985807 2.812498 3.555959 ] [ 1.950344 4.41901 2.566342 ] [ 5.113997 2.527784 1.58139 ] [ 5.483026 3.06067 3.469124 ] [ 3.944653 4.730231 1.719663 ] [ 3.598129 4.831394 3.870985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.700129e-10 2.133533e-10 1.415237e-10 ] [ 2.985807e-10 2.812498e-10 3.555959e-10 ] [ 1.950344e-10 4.41901e-10 2.566342e-10 ] [ 5.113997e-10 2.527784e-10 1.58139e-10 ] [ 5.483026e-10 3.06067e-10 3.469124e-10 ] [ 3.944653e-10 4.730231e-10 1.719663e-10 ] [ 3.598129e-10 4.831394000000001e-10 3.870985e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.832969 1.05629 -0.1221524 ] [ 1.1008958 -5.0831395 1.5090704 ] [ -5.5350853 0.5359927 -3.0309452 ] [ -2.4907596 -0.685394 -4.8196011 ] [ -0.3238145 2.1179341 4.8350228 ] [ 2.6345077 -1.0865847 -2.8668162 ] [ 3.7812869 3.1449015 4.4954216 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.334563457651155e-09 1.692363142784832e-09 -1.957097194546099e-10 ] [ 1.763829512696913e-09 -8.144087267165e-09 2.417797314021304e-09 ] [ -8.868184261793756e-09 8.587549728594682e-10 -4.856109538365981e-09 ] [ -3.99063679915316e-09 -1.098122242836595e-09 -7.721852204001963e-09 ] [ -5.188080213760416e-10 3.393304499415089e-09 7.746560491194954e-09 ] [ 4.22094664425758e-09 -1.740900602858982e-09 -4.593145891770697e-09 ] [ 6.058289467717308e-09 5.038687658018851e-09 7.20245938815933e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.686338085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.071269455946882e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6585566 2.6341863 1.1828976 ] [ 3.2479974 2.4920348 3.5314127 ] [ 1.8899291 4.269224 2.5931108 ] [ 4.8419587 2.1986561 1.7268696 ] [ 5.4227503 3.564526 3.4732708 ] [ 4.1165983 4.5122856 1.6625011 ] [ 3.5982946 4.8442072 4.0086374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6585566e-10 2.6341863e-10 1.1828976e-10 ] [ 3.2479974e-10 2.4920348e-10 3.531412700000001e-10 ] [ 1.8899291e-10 4.269224000000001e-10 2.5931108e-10 ] [ 4.8419587e-10 2.1986561e-10 1.7268696e-10 ] [ 5.4227503e-10 3.564526e-10 3.4732708e-10 ] [ 4.1165983e-10 4.5122856e-10 1.6625011e-10 ] [ 3.5982946e-10 4.8442072e-10 4.0086374e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.1e-06 -2.1e-06 -1e-06 ] [ -1.6e-06 -2.8e-06 3.9e-06 ] [ -8.7e-06 2e-06 -7e-06 ] [ 4.2e-06 1.3e-06 -6.4e-06 ] [ -3.7e-06 5.4e-06 1.3e-06 ] [ 2.7e-06 -5.1e-06 4.4e-06 ] [ 1.04e-05 1.3e-06 4.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.96674752448e-15 -3.36457090368e-15 -1.6021766208e-15 ] [ -2.56348259328e-15 -4.48609453824e-15 6.24848882112e-15 ] [ -1.393893660096e-14 3.2043532416e-15 -1.12152363456e-14 ] [ 6.72914180736e-15 2.08282960704e-15 -1.025393037312e-14 ] [ -5.928053496960001e-15 8.65175375232e-15 2.08282960704e-15 ] [ 4.32587687616e-15 -8.17110076608e-15 7.04957713152e-15 ] [ 1.666263685632e-14 2.08282960704e-15 7.370012455680001e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.821491085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.573576339869981e-18 } }