{ "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" [ [ 2.611679 2.016684 2.717461 ] [ 4.323341 0.727724 2.330974 ] [ 4.46399 3.048062 1.959515 ] [ 3.51112 1.5374 4.631239 ] [ 3.533059 3.74018 3.907793 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.611679e-10 2.016684e-10 2.717461e-10 ] [ 4.323341e-10 7.27724e-11 2.330974e-10 ] [ 4.46399e-10 3.048062e-10 1.959515e-10 ] [ 3.51112e-10 1.5374e-10 4.631239e-10 ] [ 3.533059e-10 3.74018e-10 3.907793e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.1806907 -7.3683987 -4.9554157 ] [ 2.5660727 -4.8346902 -0.9108554 ] [ 6.7372332 5.3556778 -4.7957273 ] [ 1.0461873 -2.967906 4.8987902 ] [ 2.8311976 9.815317 5.7632082 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.111779448553599e-08 -1.180547612987311e-08 -7.939451180885266e-09 ] [ 4.111301687213132e-09 -7.746027607250876e-09 -1.459351226809432e-09 ] [ 1.079423752191757e-08 8.580741759697578e-09 -7.683602159792309e-09 ] [ 1.676176833037876e-09 -4.755109605932045e-09 7.848727128644157e-09 ] [ 4.53607860358507e-09 1.572587142314079e-08 9.233677438842851e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.9576353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.943007372112795e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.6308322 0.6606555 3.1569553 ] [ 4.0238481 1.2346298 1.5401367 ] [ 4.9536092 3.1620782 2.0919784 ] [ 2.6996746 2.2333593 4.7080535 ] [ 4.1352249 3.7793272 4.0498581 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6308322e-10 6.606555e-11 3.1569553e-10 ] [ 4.0238481e-10 1.2346298e-10 1.5401367e-10 ] [ 4.9536092e-10 3.1620782e-10 2.0919784e-10 ] [ 2.6996746e-10 2.2333593e-10 4.7080535e-10 ] [ 4.1352249e-10 3.7793272e-10 4.0498581e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.6e-06 -6.5e-06 4.5e-06 ] [ -2.4e-06 6.9e-06 -3.5e-06 ] [ 4.4e-06 -6.4e-06 -8.7e-06 ] [ -3.4e-06 6.5e-06 -3.3e-06 ] [ -3.2e-06 -5e-07 1.1e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.370012455680001e-15 -1.04141480352e-14 7.2097947936e-15 ] [ -3.84522388992e-15 1.105501868352e-14 -5.6076181728e-15 ] [ 7.04957713152e-15 -1.025393037312e-14 -1.393893660096e-14 ] [ -5.44740051072e-15 1.04141480352e-14 -5.28718284864e-15 ] [ -5.126965186560001e-15 -8.010883104e-16 1.76239428288e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.370748 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.821794660660836e-18 } }