{ "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" [ [ -3.7281355 -1.2948039 -3.9150686 ] [ -1.1747768 -2.5277442 5.2604648 ] [ 3.7614268 -2.8986162 -3.2885838 ] [ -1.0393701 3.5248729 6.4394398 ] [ 0.9416066 -0.2144593 1.4820102 ] [ 0.9774188 5.3386576 -4.9639027 ] [ 0.2618302 -1.9279069 -1.0143597 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.973131586485907e-09 -2.074504554192072e-09 -6.272631431427092e-09 ] [ -1.882199939125291e-09 -4.049892693969022e-09 8.428193786539482e-09 ] [ 6.026470129461391e-09 -4.644095146573871e-09 -5.268892123310929e-09 ] [ -1.665254488298243e-09 5.647468998199817e-09 1.031711998360963e-08 ] [ 1.508620092940184e-09 -3.436016794039962e-10 2.374442113789667e-09 ] [ 1.565997562992319e-09 8.553472463646518e-09 -7.953048919389511e-09 ] [ 4.194982285155468e-10 -3.088847387707374e-09 -1.62518340981125e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.83991 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.698051032066294e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6774089 1.9137494 1.9566492 ] [ 2.5131665 0.5765908 3.8551346 ] [ 4.1538559 1.2753562 2.137495 ] [ 3.0601323 3.0236558 3.8111439 ] [ 5.4125131 3.3260528 2.8324566 ] [ 3.4208381 3.5607269 1.2352218 ] [ 3.873417 5.2489258 2.98895 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6774089e-10 1.9137494e-10 1.9566492e-10 ] [ 2.5131665e-10 5.765908e-11 3.8551346e-10 ] [ 4.1538559e-10 1.2753562e-10 2.137495e-10 ] [ 3.0601323e-10 3.0236558e-10 3.8111439e-10 ] [ 5.4125131e-10 3.3260528e-10 2.8324566e-10 ] [ 3.4208381e-10 3.5607269e-10 1.2352218e-10 ] [ 3.873417e-10 5.2489258e-10 2.98895e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.85e-05 -9.8e-06 -4.5e-06 ] [ 1.99e-05 -4.5e-06 4.9e-06 ] [ -5.91e-05 2.88e-05 -2.1e-05 ] [ 7.6e-06 5.07e-05 -2.09e-05 ] [ -2.25e-05 -3.3e-06 -1.4e-06 ] [ 2.12e-05 -3.25e-05 2.62e-05 ] [ -5.7e-06 -2.94e-05 1.68e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.168380040899999e-14 -1.57013310132e-14 -7.209794853e-15 ] [ 3.18833150166e-14 -7.209794853e-15 7.850665506599998e-15 ] [ -9.468863906939999e-14 4.614268705919999e-14 -3.364570931399999e-14 ] [ 1.21765424184e-14 8.123035534379999e-14 -3.34854916506e-14 ] [ -3.6048974265e-14 -5.2871828922e-15 -2.2430472876e-15 ] [ 3.39661446408e-14 -5.207074060499999e-14 4.197702781079999e-14 ] [ -9.1324068138e-15 -4.710399303959999e-14 2.691656745119999e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.591051 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.459267741570233e-18 } }