{ "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" [ [ 2.668149 2.195644 2.177876 ] [ 2.423331 4.799117 4.063095 ] [ 0.9419081 3.216694 3.792355 ] [ 4.815194 2.852634 0.7483411 ] [ 3.230766 2.566095 4.274755 ] [ 3.707939 4.705402 1.628358 ] [ 5.171828 3.316404 3.099703 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.668149e-10 2.195644e-10 2.177876e-10 ] [ 2.423331e-10 4.799117e-10 4.063095e-10 ] [ 9.419081e-11 3.216694e-10 3.792355e-10 ] [ 4.815194e-10 2.852634e-10 7.483411e-11 ] [ 3.230766e-10 2.566095e-10 4.274755e-10 ] [ 3.707939e-10 4.705402000000001e-10 1.628358e-10 ] [ 5.171828e-10 3.316404e-10 3.099703e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -38.4669292 4.7102489 -22.633224 ] [ 36.8648993 56.7630321 -5.2293628 ] [ -53.3192213 -41.4019708 -41.1213866 ] [ 8.7849754 -28.1158052 -20.4782062 ] [ 60.5922894 -21.3385659 51.2593822 ] [ -32.823981 34.707856 13.5963864 ] [ 18.3679673 -5.3247951 24.606411 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.163081463820885e-08 7.546650665728917e-09 -3.626242234612946e-08 ] [ 5.906407978660629e-08 9.094440295633991e-08 -8.378362819841226e-09 ] [ -8.542680980612138e-08 -6.633326967080427e-08 -6.58837242253984e-08 ] [ 1.407508220018313e-08 -4.504648576640707e-08 -3.280970320956161e-08 ] [ 9.707954947742766e-08 -3.418815140638011e-08 8.212658375749168e-08 ] [ -5.258981495978341e-08 5.560811544129301e-08 2.178381241744308e-08 ] [ 2.94287277796789e-08 -8.531262219770399e-09 3.942381642599595e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 21.058353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.373920084915354e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3634592 1.9924434 1.8114207 ] [ 2.4393069 5.1179392 4.3076943 ] [ 0.4600946 3.1408359 3.6826329 ] [ 4.9572772 2.4023256 0.6212987 ] [ 3.482849 2.47288 4.416222 ] [ 3.5597056 4.9910948 1.7849271 ] [ 5.6964226 3.5344711 3.1602874 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3634592e-10 1.9924434e-10 1.8114207e-10 ] [ 2.4393069e-10 5.1179392e-10 4.3076943e-10 ] [ 4.600946e-11 3.1408359e-10 3.682632900000001e-10 ] [ 4.9572772e-10 2.4023256e-10 6.212987e-11 ] [ 3.482849e-10 2.47288e-10 4.416222000000001e-10 ] [ 3.5597056e-10 4.9910948e-10 1.7849271e-10 ] [ 5.6964226e-10 3.534471100000001e-10 3.1602874e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.64e-05 3.03e-05 1.37e-05 ] [ 2.09e-05 -4.84e-05 2.3e-06 ] [ -9.84e-05 -7.2e-06 2.52e-05 ] [ 1.03e-05 -2.95e-05 -7.5e-06 ] [ 3.81e-05 1.48e-05 -1.51e-05 ] [ 2.78e-05 3e-05 -3.11e-05 ] [ -2.51e-05 1e-05 1.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.229746278912e-14 4.854595161024e-14 2.194981970496e-14 ] [ 3.348549137472e-14 -7.754534844671999e-14 3.68500622784e-15 ] [ -1.5765417948672e-13 -1.153567166976e-14 4.037485084416e-14 ] [ 1.650241919424e-14 -4.72642103136e-14 -1.2016324656e-14 ] [ 6.104292925248e-14 2.371221398784e-14 -2.419286697408e-14 ] [ 4.454051005824e-14 4.8065298624e-14 -4.982769290688e-14 ] [ -4.021463318208e-14 1.6021766208e-14 2.002720776e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.470818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.959351276665182e-18 } }