{ "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" [ [ 1.931726 1.779285 1.793394 ] [ 2.022352 0.7174538 3.630998 ] [ 4.124201 0.9725878 2.711634 ] [ 3.467636 2.844975 3.645464 ] [ 5.471294 3.704408 2.165903 ] [ 3.262896 3.451778 1.529715 ] [ 3.831227 5.45457 3.339943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.931726e-10 1.779285e-10 1.793394e-10 ] [ 2.022352e-10 7.174538e-11 3.630998e-10 ] [ 4.124201e-10 9.725878e-11 2.711634e-10 ] [ 3.467636e-10 2.844975e-10 3.645464e-10 ] [ 5.471294000000001e-10 3.704408e-10 2.165903e-10 ] [ 3.262896e-10 3.451778e-10 1.529715e-10 ] [ 3.831227000000001e-10 5.454570000000001e-10 3.339943e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.2534666 -1.8208916 -8.6890713 ] [ -4.5856266 -4.993839 4.3842926 ] [ 8.6524721 -7.5275312 0.3916486 ] [ 2.8345468 5.5759294 11.346338 ] [ 3.9595001 0.8904483 -0.9551706 ] [ -1.8423855 5.9912383 -7.2059216 ] [ 0.2349596 1.8846458 0.7278842 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.482568784787366e-08 -2.917389950531105e-09 -1.392142689332426e-08 ] [ -7.346983730238593e-09 -8.001012093839252e-09 7.024411102466446e-09 ] [ 1.386278851074428e-08 -1.206043450098257e-08 6.27490230489051e-10 ] [ 4.541444613523454e-09 8.933623723911371e-09 1.817883747529463e-08 ] [ 6.343818490275262e-09 1.426655448291105e-09 -1.530352004195508e-09 ] [ -2.951826974600919e-09 9.599021933901537e-09 -1.154515911883773e-08 ] [ 3.764467779525196e-10 3.019535439248913e-09 1.166199047889711e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.0147249 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.034474994523618e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.694415 2.0078363 1.6087637 ] [ 2.7320332 1.271128 3.4643788 ] [ 4.8604983 1.0602013 2.7659224 ] [ 2.8284227 3.1324321 4.724915 ] [ 5.2343613 3.0999414 1.8937539 ] [ 2.9764373 3.7757485 1.068498 ] [ 3.7851641 4.5777701 3.2908192 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.694415e-10 2.0078363e-10 1.6087637e-10 ] [ 2.7320332e-10 1.271128e-10 3.4643788e-10 ] [ 4.8604983e-10 1.0602013e-10 2.7659224e-10 ] [ 2.8284227e-10 3.1324321e-10 4.724915000000001e-10 ] [ 5.2343613e-10 3.0999414e-10 1.8937539e-10 ] [ 2.9764373e-10 3.7757485e-10 1.068498e-10 ] [ 3.7851641e-10 4.577770100000001e-10 3.2908192e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.65e-05 -1.74e-05 -7.8e-06 ] [ -7.7e-06 1e-07 -4.5e-06 ] [ 1.03e-05 4e-06 8e-07 ] [ -2.3e-06 6.1e-06 1.64e-05 ] [ -7.1e-06 2.3e-06 -7.9e-06 ] [ 2.08e-05 1.16e-05 1.63e-05 ] [ 2.5e-06 -6.7e-06 -1.34e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.64359142432e-14 -2.787787320192e-14 -1.249697764224e-14 ] [ -1.233675998016e-14 1.6021766208e-16 -7.2097947936e-15 ] [ 1.650241919424e-14 6.4087064832e-15 1.28174129664e-15 ] [ -3.68500622784e-15 9.77327738688e-15 2.627569658112e-14 ] [ -1.137545400768e-14 3.68500622784e-15 -1.265719530432e-14 ] [ 3.332527371264e-14 1.858524880128e-14 2.611547891904e-14 ] [ 4.005441552e-15 -1.073458335936e-14 -2.146916671872e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.914565 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.229359073160195e-18 } }