{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.009597 0.3628337 1.078601 ] [ 0.0352367 0.1167127 2.680629 ] [ 0.3335965 1.756245 2.167544 ] [ 2.066416 0.0072977 2.832654 ] [ 2.311694 1.962933 1.086024 ] [ 2.552148 1.611374 2.965257 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.009597e-10 3.628337e-11 1.078601e-10 ] [ 3.52367e-12 1.167127e-11 2.680629e-10 ] [ 3.335965e-11 1.756245e-10 2.167544e-10 ] [ 2.066416e-10 7.2977e-13 2.832654e-10 ] [ 2.311694e-10 1.962933e-10 1.086024e-10 ] [ 2.552148e-10 1.611374e-10 2.965257e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.0924657 -22.9949592 -44.6106526 ] [ -33.4851061 -28.0715994 19.9617004 ] [ -29.7988056 43.3059325 1.3675671 ] [ 19.8739307 -45.7529197 21.0633325 ] [ 16.3220527 21.1033199 -25.703764 ] [ 33.180394 32.410226 27.9218165 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.761206107565907e-09 -3.684198602648987e-08 -7.147414463435074e-08 ] [ -5.364905413842747e-08 -4.497566026714331e-08 3.198216969229401e-08 ] [ -4.774294966008412e-08 6.93837525934429e-08 2.191084034995256e-09 ] [ 3.184154713093938e-08 -7.330425827667975e-08 3.374717888763682e-08 ] [ 2.615081123940552e-08 3.381124576504339e-08 -4.118196974736069e-08 ] [ 5.316085153573259e-08 5.19269063720443e-08 4.473568160656768e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 39.001304 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.248697744951352e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4310156 -0.2025027 0.6141319 ] [ -0.271308 0.0921162 2.5555174 ] [ 0.2534211 2.4300199 2.660835 ] [ 2.2075431 -0.487771 3.0777289 ] [ 1.9557445 2.135401 0.7194494 ] [ 2.7322719 1.8501327 3.1830465 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4310156e-10 -2.025027e-11 6.141318999999999e-11 ] [ -2.71308e-11 9.21162e-12 2.5555174e-10 ] [ 2.534211e-11 2.4300199e-10 2.660835e-10 ] [ 2.2075431e-10 -4.87771e-11 3.0777289e-10 ] [ 1.9557445e-10 2.135401e-10 7.194494000000001e-11 ] [ 2.7322719e-10 1.8501327e-10 3.1830465e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5e-07 -8e-07 1.6e-06 ] [ -2e-07 -0.0 -1.4e-06 ] [ -2.1e-06 1.3e-06 -8e-07 ] [ 9e-07 -4e-07 -9e-07 ] [ -4e-07 1e-07 1.2e-06 ] [ 2.3e-06 -2e-07 2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.010883104e-16 -1.28174129664e-15 2.56348259328e-15 ] [ -3.2043532416e-16 0.0 -2.24304726912e-15 ] [ -3.36457090368e-15 2.08282960704e-15 -1.28174129664e-15 ] [ 1.44195895872e-15 -6.408706483200001e-16 -1.44195895872e-15 ] [ -6.408706483200001e-16 1.6021766208e-16 1.92261194496e-15 ] [ 3.68500622784e-15 -3.2043532416e-16 3.2043532416e-16 ] ] } "relaxed-potential-energy" { "source-value" -15.148122 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.426996691742614e-18 } }