{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.082752 2.058358 1.918508 ] [ 1.804708 3.969119 3.022657 ] [ 3.997636 1.573064 0.3548062 ] [ 3.986466 2.315414 3.180743 ] [ 3.658552 3.790773 1.50531 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.082752e-10 2.058358e-10 1.918508e-10 ] [ 1.804708e-10 3.969119e-10 3.022657e-10 ] [ 3.997636e-10 1.573064e-10 3.548062000000001e-11 ] [ 3.986466e-10 2.315414e-10 3.180743e-10 ] [ 3.658552e-10 3.790773e-10 1.50531e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.1558556 -6.2006108 -3.3951066 ] [ -2.2267977 4.0898891 3.2546369 ] [ 0.0622374 -0.4349057 -1.6299874 ] [ 3.5881339 -2.0454169 6.3441644 ] [ 2.7322819 4.5910443 -4.5737073 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.658414681740756e-09 -9.934473658439985e-09 -5.439560419643778e-09 ] [ -3.567723214191212e-09 6.552724697684753e-09 5.214503150372988e-09 ] [ 9.971530721937792e-11 -6.967957447926586e-10 -2.611527704478578e-09 ] [ 5.748824246879924e-09 -3.277119136969212e-09 1.016447188019166e-08 ] [ 4.377598181615003e-09 7.355663842517102e-09 -7.327886906442292e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.157779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.14680261706532e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1517334 1.6122755 2.2467515 ] [ 1.6799171 4.0168233 2.3126919 ] [ 3.4283707 2.0717415 0.20521 ] [ 4.2097732 2.1354779 3.4713006 ] [ 4.0603196 3.8704097 1.7460703 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1517334e-10 1.6122755e-10 2.2467515e-10 ] [ 1.6799171e-10 4.0168233e-10 2.3126919e-10 ] [ 3.4283707e-10 2.0717415e-10 2.0521e-11 ] [ 4.2097732e-10 2.1354779e-10 3.4713006e-10 ] [ 4.0603196e-10 3.8704097e-10 1.7460703e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.38e-05 -8.63e-05 1.08e-05 ] [ -7.1e-05 7.26e-05 2.54e-05 ] [ 3.34e-05 -3.15e-05 -9.77e-05 ] [ 8.22e-05 -8.79e-05 0.0001501 ] [ 4.92e-05 0.0001331 -8.86e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.5028416703104e-13 -1.3826784237504e-13 1.730350750464e-14 ] [ -1.137545400768e-13 1.1631802267008e-13 4.069528616832e-14 ] [ 5.351269913472e-14 -5.04685635552e-14 -1.5653265585216e-13 ] [ 1.3169891822976e-13 -1.4083132496832e-13 2.4048671078208e-13 ] [ 7.882708974336e-14 2.1324970822848e-13 -1.4195284860288e-13 ] ] } "relaxed-potential-energy" { "source-value" -10.950872 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.754523109577334e-18 } }