{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6904258 -1.446251 -2.6997677 ] [ -3.0898387 -5.0752351 2.1032378 ] [ -0.1373099 0.8437319 -0.8205188 ] [ -1.486859 0.9991666 0.0739192 ] [ 0.6169036 -0.6224728 0.2583089 ] [ -0.3763474 0.8583451 0.2461983 ] [ 5.1638773 4.4427154 0.8386223 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.106184075157137e-09 -2.31714954000862e-09 -4.325504690530988e-09 ] [ -4.950467327183065e-09 -8.13142302228355e-09 3.369758431142827e-09 ] [ -2.19994711584386e-10 1.351807524403163e-09 -1.314616038286871e-09 ] [ -2.382210728226067e-09 1.600841366804225e-09 1.184316140682394e-10 ] [ 9.883885252073548e-10 -9.973113672439145e-10 4.138564805245652e-10 ] [ -6.029750055788659e-10 1.375220451798238e-09 3.944531603407047e-10 ] [ 8.273443482739827e-09 7.118014746748121e-09 1.343621042741524e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.39954 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.428584268387443e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9340424 1.6228224 2.4918241 ] [ 2.8000116 1.6113983 4.8034781 ] [ 3.1510711 4.6970928 3.3691372 ] [ 1.3376834 3.3512772 4.0418254 ] [ 4.3673822 1.5347403 2.8978932 ] [ 3.4060888 3.2500909 1.5270595 ] [ 4.5488765 3.235035 4.5777021 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9340424e-10 1.6228224e-10 2.4918241e-10 ] [ 2.8000116e-10 1.6113983e-10 4.803478100000001e-10 ] [ 3.1510711e-10 4.6970928e-10 3.3691372e-10 ] [ 1.3376834e-10 3.3512772e-10 4.0418254e-10 ] [ 4.3673822e-10 1.5347403e-10 2.8978932e-10 ] [ 3.4060888e-10 3.2500909e-10 1.5270595e-10 ] [ 4.5488765e-10 3.235035e-10 4.5777021e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 -5.5e-06 3.8e-06 ] [ 3.5e-06 -1.4e-06 -3.5e-06 ] [ -3.4e-06 -1.5e-06 5.1e-06 ] [ -7.8e-06 6.2e-06 -7.2e-06 ] [ -3.8e-06 -6.6e-06 -2e-07 ] [ 2.4e-06 4.5e-06 3.4e-06 ] [ 9.2e-06 4.2e-06 -1.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 -8.8119714144e-15 6.08827115904e-15 ] [ 5.6076181728e-15 -2.24304726912e-15 -5.6076181728e-15 ] [ -5.44740051072e-15 -2.4032649312e-15 8.17110076608e-15 ] [ -1.249697764224e-14 9.93349504896e-15 -1.153567166976e-14 ] [ -6.08827115904e-15 -1.057436569728e-14 -3.2043532416e-16 ] [ 3.84522388992e-15 7.2097947936e-15 5.44740051072e-15 ] [ 1.474002491136e-14 6.72914180736e-15 -2.08282960704e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }