{ "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" [ [ 1.999551 1.685791 2.486539 ] [ 2.806467 1.943327 4.558328 ] [ 1.52714 3.922099 3.002179 ] [ 4.336396 2.072479 2.061694 ] [ 5.046676 1.88237 4.081611 ] [ 3.556935 4.352885 1.849563 ] [ 3.300335 4.140991 4.307093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.999551e-10 1.685791e-10 2.486539e-10 ] [ 2.806467e-10 1.943327e-10 4.558328e-10 ] [ 1.52714e-10 3.922099e-10 3.002179e-10 ] [ 4.336396e-10 2.072479e-10 2.061694e-10 ] [ 5.046676e-10 1.88237e-10 4.081611e-10 ] [ 3.556935e-10 4.352885e-10 1.849563e-10 ] [ 3.300335e-10 4.140991e-10 4.307093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1693631 -1.5028545 -1.9571115 ] [ -1.3268967 -0.7033493 1.6845777 ] [ -3.4079766 0.8471445 -0.5016353 ] [ -0.4248078 0.1200094 -2.8241042 ] [ 1.8044883 0.1918334 1.7991218 ] [ 0.8870725 -0.7425547 -0.1176516 ] [ 2.6374834 1.7897713 1.9168031 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.713496014818053e-10 -2.407838364201753e-09 -3.135638315432691e-09 ] [ -2.125922888471708e-09 -1.126889814000256e-09 2.698991029097461e-09 ] [ -5.460180477738764e-09 1.357275123521613e-09 -8.037083564495801e-10 ] [ -6.806171311009451e-10 1.922762565403596e-10 -4.524713761221262e-09 ] [ 2.891108990586382e-09 3.073509911007756e-10 2.882510909680021e-09 ] [ 1.421246832163965e-09 -1.18970378980688e-09 -1.884986444727144e-10 ] [ 4.225714276042875e-09 2.867529757063804e-09 3.071057138798765e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.57629906491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.655815904000509e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6521961 2.0345514 2.1935828 ] [ 2.9150053 1.615385 4.2645266 ] [ 1.3492997 4.1899151 3.1869981 ] [ 4.4876023 1.6374336 2.1862539 ] [ 5.246347 2.5526179 4.2605978 ] [ 3.5203238 3.9274196 1.874841 ] [ 3.4027259 4.0426194 4.3802068 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6521961e-10 2.0345514e-10 2.1935828e-10 ] [ 2.9150053e-10 1.615385e-10 4.2645266e-10 ] [ 1.3492997e-10 4.1899151e-10 3.1869981e-10 ] [ 4.4876023e-10 1.6374336e-10 2.1862539e-10 ] [ 5.246347e-10 2.5526179e-10 4.2605978e-10 ] [ 3.5203238e-10 3.9274196e-10 1.874841e-10 ] [ 3.4027259e-10 4.042619400000001e-10 4.3802068e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.79e-05 4.96e-05 -4.14e-05 ] [ -4e-07 8.25e-05 -3.95e-05 ] [ -1.63e-05 -1.77e-05 2.12e-05 ] [ -1.79e-05 -4.5e-06 6.68e-05 ] [ 1.34e-05 -3.42e-05 -0.0001016 ] [ -3.69e-05 -0.0001012 1.87e-05 ] [ -3.98e-05 2.56e-05 7.58e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.568530924686e-13 7.94679610464e-14 -6.633011264759999e-14 ] [ -6.408706536e-16 1.32179572305e-13 -6.328597704299999e-14 ] [ -2.61154791342e-14 -2.83585264218e-14 3.39661446408e-14 ] [ -2.86789617486e-14 -7.209794853e-15 1.070253991512e-13 ] [ 2.14691668956e-14 -5.479444088279999e-14 -1.627811460144e-13 ] [ -5.91203177946e-14 -1.621402753608e-13 2.99607030558e-14 ] [ -6.376663003319999e-14 4.10157218304e-14 1.214449888572e-13 ] ] } "relaxed-potential-energy" { "source-value" -18.14226006491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.906710516396036e-18 } }