{ "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" [ [ -26.2297828 -6.3552754 1.1227845 ] [ -2.5286299 2.2238719 -2.5083783 ] [ 26.6314619 -2.394853 3.2140393 ] [ 0.0262961 -0.2135566 -5.2252044 ] [ 2.1006547 6.7398132 3.396759 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.202474477082196e-08 -1.018227366462537e-08 1.798899076096618e-09 ] [ -4.051311708435842e-09 3.563035565834075e-09 -4.018865068382049e-09 ] [ 4.266830563390595e-08 -3.836977486852743e-09 5.149458624792397e-09 ] [ 4.213099663821888e-11 -3.421553917375373e-10 -8.371700328581291e-09 ] [ 3.365619848713638e-09 1.079837113759924e-08 5.442207856291987e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.524638 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.85144584198327e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.4035777 0.1744434 2.3871196 ] [ 0.0174782 1.6652502 0.3732534 ] [ 2.7339911 0.6391444 3.2705583 ] [ 2.1095641 3.0507461 0.0115786 ] [ 3.7877916 2.4178751 1.8032985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.035777e-11 1.744434e-11 2.3871196e-10 ] [ 1.74782e-12 1.6652502e-10 3.732534e-11 ] [ 2.7339911e-10 6.391443999999999e-11 3.2705583e-10 ] [ 2.1095641e-10 3.0507461e-10 1.15786e-12 ] [ 3.7877916e-10 2.4178751e-10 1.8032985e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.6e-06 4.1e-06 -1.4e-06 ] [ 1e-06 -8.2e-06 8e-07 ] [ -9.3e-06 -1.1e-06 6.3e-06 ] [ 1e-07 1.05e-05 3.8e-06 ] [ 1.6e-06 -5.2e-06 -9.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.057436569728e-14 6.568924145279999e-15 -2.24304726912e-15 ] [ 1.6021766208e-15 -1.313784829056e-14 1.28174129664e-15 ] [ -1.490024257344e-14 -1.76239428288e-15 1.009371271104e-14 ] [ 1.6021766208e-16 1.68228545184e-14 6.08827115904e-15 ] [ 2.56348259328e-15 -8.33131842816e-15 -1.52206778976e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.716098 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.197561154420164e-18 } }