{ "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" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.0962471 -3.0626229 -0.2937149 ] [ -0.3121527 -0.3638083 1.3652265 ] [ 6.8393894 3.1366983 0.6966755 ] [ 1.2826912 -0.5072204 -0.6995197 ] [ 1.9224705 0.0211771 -2.4722873 ] [ 0.4860227 2.6176169 0.938938 ] [ -7.122174 -1.8418407 0.4646818 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.9607347158398e-09 -4.906862808706696e-09 -4.705831459606099e-10 ] [ -5.001237580595961e-10 -5.828851527129926e-10 2.187333980396611e-09 ] [ 1.095790979722734e-08 5.025544682763105e-09 1.11619719838415e-09 ] [ 2.055097852345897e-09 -8.126566664728243e-10 -1.12075410912903e-09 ] [ 3.080137289277687e-09 3.392945451634368e-11 -3.961040911960756e-09 ] [ 7.786942071180921e-10 4.193884599390972e-09 1.50434451198071e-09 ] [ -1.141098067206962e-08 -2.950954108777907e-09 7.445023160712615e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.118258 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.063082599802257e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5012962 2.3521014 2.4683513 ] [ 2.2362385 1.3427541 4.6322224 ] [ 2.565261 4.4989814 2.1747005 ] [ 2.056944 3.8268869 4.4368358 ] [ 3.7099664 1.3241744 2.6150339 ] [ 4.2656136 2.7989542 4.5835182 ] [ 4.6997483 3.5055836 2.3164589 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5012962e-10 2.3521014e-10 2.4683513e-10 ] [ 2.2362385e-10 1.3427541e-10 4.6322224e-10 ] [ 2.565261e-10 4.4989814e-10 2.1747005e-10 ] [ 2.056944e-10 3.8268869e-10 4.4368358e-10 ] [ 3.7099664e-10 1.3241744e-10 2.6150339e-10 ] [ 4.2656136e-10 2.7989542e-10 4.583518200000001e-10 ] [ 4.699748300000001e-10 3.5055836e-10 2.3164589e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4e-06 -4e-06 1.63e-05 ] [ 4.1e-06 -2.24e-05 -1.31e-05 ] [ 2.42e-05 1e-05 -1.5e-06 ] [ -3e-06 1e-05 -1.9e-06 ] [ 4e-07 1e-06 9.4e-06 ] [ -8.8e-06 9.6e-06 -3.5e-06 ] [ -2.1e-05 -4.3e-06 -5.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.4087064832e-15 -6.4087064832e-15 2.611547891904e-14 ] [ 6.568924145279999e-15 -3.588875630592e-14 -2.098851373248e-14 ] [ 3.877267422336e-14 1.6021766208e-14 -2.4032649312e-15 ] [ -4.8065298624e-15 1.6021766208e-14 -3.04413557952e-15 ] [ 6.408706483200001e-16 1.6021766208e-15 1.506046023552e-14 ] [ -1.409915426304e-14 1.538089555968e-14 -5.6076181728e-15 ] [ -3.36457090368e-14 -6.889359469440001e-15 -9.13240673856e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.957559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.517988767963663e-18 } }