{ "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" [ [ 0.7481215 0.3697243 2.264709 ] [ 0.2413431 2.204484 1.035234 ] [ 2.632044 0.6504598 2.339521 ] [ 2.588426 1.874203 0.0457334 ] [ 2.842468 2.848588 2.160611 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.481215e-11 3.697243e-11 2.264709e-10 ] [ 2.413431e-11 2.204484e-10 1.035234e-10 ] [ 2.632044e-10 6.504598e-11 2.339521e-10 ] [ 2.588426e-10 1.874203e-10 4.57334e-12 ] [ 2.842468e-10 2.848588e-10 2.160611e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.2123489 -0.4071949 -0.15758 ] [ 1.3411578 0.2792529 -0.7901772 ] [ 4.9034584 -0.6383936 0.2010277 ] [ -1.5122753 -0.0485469 0.8475993 ] [ -0.519992 0.8148825 -0.1008699 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.748926981835602e-09 -6.523981542639666e-10 -2.5247099398572e-10 ] [ 2.148771689666845e-09 4.474124713567386e-10 -1.266003446559545e-09 ] [ 7.856206474271024e-09 -1.022819309215142e-09 3.220818837267617e-10 ] [ -2.42293214983534e-09 -7.778070883313459e-11 1.358003793454756e-09 ] [ -8.331190322669279e-10 1.305585700955505e-09 -1.616113968539166e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -10.771395432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.725767807782971e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6387355 0.4346697 2.2563793 ] [ 0.6193923 2.4686913 1.0157223 ] [ 3.0015685 0.7102913 2.1225996 ] [ 2.415491 1.3630555 -0.0926314 ] [ 2.3772152 2.9707512 2.5437386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.387355e-11 4.346697e-11 2.2563793e-10 ] [ 6.193923e-11 2.4686913e-10 1.0157223e-10 ] [ 3.0015685e-10 7.102913e-11 2.1225996e-10 ] [ 2.415491e-10 1.3630555e-10 -9.26314e-12 ] [ 2.3772152e-10 2.9707512e-10 2.543738600000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.6e-06 -6.2e-06 -6.1e-06 ] [ -2.12e-05 6.6e-06 -1.55e-05 ] [ 2.12e-05 -5.7e-06 2.32e-05 ] [ -1e-05 -9e-07 -1.6e-05 ] [ 1.66e-05 6.1e-06 1.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.05743657844e-14 -9.9334951308e-15 -9.773277467399999e-15 ] [ -3.39661446408e-14 1.05743657844e-14 -2.4833737827e-14 ] [ 3.39661446408e-14 -9.1324068138e-15 3.71704979088e-14 ] [ -1.602176634e-14 -1.4419589706e-15 -2.5634826144e-14 ] [ 2.65961321244e-14 9.773277467399999e-15 2.29111258662e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }