{ "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" [ [ 0.1135843 1.090818 0.6070393 ] [ 0.463669 0.0470556 2.807524 ] [ 1.463077 2.472969 2.736641 ] [ 1.89694 0.8949072 0.1877689 ] [ 2.774068 0.9895664 2.110174 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.135843e-11 1.090818e-10 6.070393e-11 ] [ 4.63669e-11 4.705560000000001e-12 2.807524e-10 ] [ 1.463077e-10 2.472969e-10 2.736641e-10 ] [ 1.89694e-10 8.949072000000001e-11 1.877689e-11 ] [ 2.774068e-10 9.895664e-11 2.110174e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.2104137 -0.0789695 3.8067943 ] [ -0.4100682 1.1288823 -2.3647052 ] [ -1.5636314 2.1700645 1.6104516 ] [ 9.0143344 -1.6222205 -4.0230041 ] [ 3.1697789 -1.5977568 0.9704634 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.635888611883603e-08 -1.265230866562656e-10 6.099156827654702e-09 ] [ -6.570016829735386e-10 1.808668828694932e-09 -3.788675386524188e-09 ] [ -2.505213672628773e-09 3.476826607528042e-09 2.580227902449953e-09 ] [ 1.444255582775319e-08 -2.599083758882487e-09 -6.445563114402545e-09 ] [ 5.078545646685141e-09 -2.559888590684221e-09 1.554853770822079e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.9047444 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.858266808679725e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.2018965 -0.1386379 0.7668172 ] [ -2.13967 -0.9281471 1.4489674 ] [ 4.1382942 3.3910952 3.483934 ] [ 1.7021842 0.960147 0.8749037 ] [ 3.2124264 2.2108589 1.8745249 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.018965e-11 -1.386379e-11 7.668172e-11 ] [ -2.13967e-10 -9.281471e-11 1.4489674e-10 ] [ 4.1382942e-10 3.3910952e-10 3.483934e-10 ] [ 1.7021842e-10 9.60147e-11 8.749037e-11 ] [ 3.2124264e-10 2.2108589e-10 1.8745249e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0746699 -0.0301815 0.0268628 ] [ 0.045121 0.0064253 -0.0447012 ] [ 0.0512039 0.0403681 0.0289828 ] [ -0.0108313 -0.0011558 0.0116636 ] [ -0.0108237 -0.0154561 -0.022808 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.196343680574739e-10 -4.83560936806752e-11 4.303895012922624e-11 ] [ 7.229181130711682e-11 1.029446544162624e-11 -7.161921756170496e-11 ] [ 8.203769147378111e-11 6.467682604611648e-11 4.643556456532224e-11 ] [ -1.735365563287104e-11 -1.85179573832064e-12 1.868714723436288e-11 ] [ -1.734147909055296e-11 -2.476340206874688e-11 -3.65424443672064e-11 ] ] } "relaxed-potential-energy" { "source-value" -11.157713 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.787662691019623e-18 } }