{ "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" [ [ 2.274506 0.3236661 2.677073 ] [ 0.5953025 1.868691 3.011541 ] [ 2.644287 1.363154 4.648241 ] [ 2.19861 3.39541 3.518323 ] [ 4.456442 1.578463 3.034766 ] [ 3.361859 3.152961 1.75355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.274506e-10 3.236661e-11 2.677073e-10 ] [ 5.953025e-11 1.868691e-10 3.011541e-10 ] [ 2.644287e-10 1.363154e-10 4.648241e-10 ] [ 2.19861e-10 3.39541e-10 3.518323e-10 ] [ 4.456442e-10 1.578463e-10 3.034766e-10 ] [ 3.361859e-10 3.152961e-10 1.75355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6508522 -0.2016105 -0.7791508 ] [ -0.1860252 -0.3127216 -0.0846824 ] [ 0.1946672 0.3610073 0.4627195 ] [ -0.8549505 0.9938718 2.3165125 ] [ -0.8574235 -0.4361918 0.2452504 ] [ 1.0528798 -0.4043552 -2.1606492 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.042780178436246e-09 -3.230156296077984e-10 -1.248337195837617e-09 ] [ -2.980452263196442e-10 -5.010352363391693e-10 -1.356761614732339e-10 ] [ 3.118912366765978e-10 5.783974559981319e-10 7.413583648882657e-10 ] [ -1.36978170304127e-09 1.592358162032413e-09 3.71146216929096e-09 ] [ -1.373743885824509e-09 -6.988563041446695e-10 3.929344571218483e-10 ] [ 1.68689940007258e-09 -6.478484479389082e-10 -3.461741633990223e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.728592930490681 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.078039428411233e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5746749 0.4150448 2.4280545 ] [ 0.9245966 2.040456 2.9304486 ] [ 2.3890258 1.2741734 4.6290885 ] [ 2.6023273 3.4790703 3.7864438 ] [ 4.2524054 1.853659 3.2840493 ] [ 2.7879765 2.6199416 1.5854092 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5746749e-10 4.150448e-11 2.4280545e-10 ] [ 9.245966000000001e-11 2.040456e-10 2.9304486e-10 ] [ 2.3890258e-10 1.2741734e-10 4.6290885e-10 ] [ 2.6023273e-10 3.4790703e-10 3.7864438e-10 ] [ 4.2524054e-10 1.853659e-10 3.2840493e-10 ] [ 2.7879765e-10 2.6199416e-10 1.5854092e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-06 1e-07 -1e-06 ] [ 4.2e-06 -1e-07 6e-07 ] [ -2e-06 -3e-07 7e-07 ] [ 4e-07 -3.2e-06 -5e-06 ] [ -3e-07 3.1e-06 -1.1e-06 ] [ -3e-07 4e-07 5.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-15 1.6021766208e-16 -1.6021766208e-15 ] [ 6.72914180736e-15 -1.6021766208e-16 9.6130597248e-16 ] [ -3.2043532416e-15 -4.8065298624e-16 1.12152363456e-15 ] [ 6.408706483200001e-16 -5.126965186560001e-15 -8.010883104e-15 ] [ -4.8065298624e-16 4.96674752448e-15 -1.76239428288e-15 ] [ -4.8065298624e-16 6.408706483200001e-16 9.292624400640001e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.32264193049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.333434232432195e-18 } }