{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.291216 1.822107 1.800811 ] [ 1.534743 4.043561 0.7260553 ] [ 2.21799 3.847577 3.169656 ] [ 3.72216 2.8756 1.141297 ] [ 3.290513 5.175492 1.550965 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.291216e-10 1.822107e-10 1.800811e-10 ] [ 1.534743e-10 4.043561e-10 7.260553e-11 ] [ 2.21799e-10 3.847577e-10 3.169656e-10 ] [ 3.722160000000001e-10 2.8756e-10 1.141297e-10 ] [ 3.290513e-10 5.175492e-10 1.550965e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9789434 1.3564489 0.113692 ] [ -1.1353243 -1.2362332 -0.3316387 ] [ -0.3699226 -0.8515336 -0.4231815 ] [ -0.7834927 -0.1769437 0.2188302 ] [ 1.3097962 0.9082616 0.4222981 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.568440228566463e-09 2.173270714889877e-09 1.821546643719936e-10 ] [ -1.818990050486125e-09 -1.98066393089677e-09 -5.31343771692505e-10 ] [ -5.9268134122555e-10 -1.364307225745659e-09 -6.780115056550752e-10 ] [ -1.255293686507468e-09 -2.83495059337849e-10 3.506046303649882e-10 ] [ 2.098524849652681e-09 1.455195501090401e-09 6.765961428282605e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -4.36678239923495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.996356668175168e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.3021509 2.2837765 1.8853536 ] [ 1.656361 3.8806239 0.1923109 ] [ 2.617921 3.5589531 3.3633503 ] [ 3.508051 2.8851859 1.2774674 ] [ 2.9721382 5.1557977 1.6703022 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3021509e-10 2.2837765e-10 1.8853536e-10 ] [ 1.656361e-10 3.8806239e-10 1.923109e-11 ] [ 2.617921e-10 3.5589531e-10 3.3633503e-10 ] [ 3.508051e-10 2.8851859e-10 1.2774674e-10 ] [ 2.9721382e-10 5.1557977e-10 1.6703022e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.49e-05 1.62e-05 1.76e-05 ] [ 1.78e-05 8.5e-06 -1.7e-06 ] [ -8.2e-06 -1.8e-06 -1.13e-05 ] [ -1.81e-05 -4.7e-06 -8.8e-06 ] [ -1.65e-05 -1.82e-05 4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.989419785791999e-14 2.595526125696e-14 2.819830852608e-14 ] [ 2.851874385024e-14 1.36185012768e-14 -2.72370025536e-15 ] [ -1.313784829056e-14 -2.88391791744e-15 -1.810459581504e-14 ] [ -2.899939683648e-14 -7.53023011776e-15 -1.409915426304e-14 ] [ -2.64359142432e-14 -2.915961449856e-14 6.889359469440001e-15 ] ] } "relaxed-potential-energy" { "source-value" -5.34072039923495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.55677736188388e-19 } }