{ "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" [ [ -26.6125095 -29.3841288 -3.2585586 ] [ -8.5311382 -9.0587058 15.2994973 ] [ 16.6096505 32.4654608 -9.3450097 ] [ 1.1530016 6.6757505 5.0014833 ] [ 7.4862566 -12.221636 -25.5569051 ] [ 12.6797007 12.8481573 18.5313271 ] [ -2.7849618 -1.3248979 -0.6718344 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.263794089300302e-08 -4.707856457380645e-08 -5.220786449439753e-09 ] [ -1.366839028546482e-08 -1.451364676704028e-08 2.451249708600609e-08 ] [ 2.661159393000642e-08 5.201540270580294e-08 -1.497235618584335e-08 ] [ 1.847312222484614e-09 1.069573146551382e-08 8.013259678601212e-09 ] [ 1.199430540064828e-08 -1.958121962845322e-08 -4.094667618857543e-08 ] [ 2.031512018765344e-08 2.058501741601653e-08 2.969045927663098e-08 ] [ -4.462000722542581e-09 -2.122720457815669e-09 -1.07639737759741e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.879934 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.903375266826215e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3674165 2.3013294 2.3834539 ] [ 2.1746645 1.2177886 4.7456347 ] [ 2.5243815 4.6404936 2.0780904 ] [ 1.979074 3.9247955 4.5466807 ] [ 3.7688198 1.1875823 2.5403189 ] [ 4.3804541 2.8110346 4.7035547 ] [ 4.8402577 3.5664121 2.2293877 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3674165e-10 2.3013294e-10 2.3834539e-10 ] [ 2.1746645e-10 1.2177886e-10 4.7456347e-10 ] [ 2.5243815e-10 4.6404936e-10 2.0780904e-10 ] [ 1.979074e-10 3.9247955e-10 4.5466807e-10 ] [ 3.7688198e-10 1.1875823e-10 2.5403189e-10 ] [ 4.3804541e-10 2.8110346e-10 4.7035547e-10 ] [ 4.840257700000001e-10 3.5664121e-10 2.2293877e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.4e-05 7.5e-06 -5.2e-06 ] [ 2.56e-05 3.93e-05 3.99e-05 ] [ 0.0001055 -5.05e-05 2.93e-05 ] [ -2.32e-05 -4.15e-05 -3.63e-05 ] [ -4.81e-05 -8.6e-06 -7.7e-06 ] [ -9.8e-06 -2.07e-05 -1.04e-05 ] [ -8.41e-05 7.44e-05 -9.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.447400555599999e-14 1.2016324755e-14 -8.331318496799998e-15 ] [ 4.10157218304e-14 6.29655417162e-14 6.392684769659999e-14 ] [ 1.69029634887e-13 -8.090992001699999e-14 4.69437753762e-14 ] [ -3.71704979088e-14 -6.649033031099999e-14 -5.81590118142e-14 ] [ -7.706469609539999e-14 -1.37787190524e-14 -1.23367600818e-14 ] [ -1.57013310132e-14 -3.316505632379999e-14 -1.66626369936e-14 ] [ -1.347430549194e-13 1.192019415696e-13 -1.5220678023e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.900855 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.989556804762207e-18 } }