{ "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" [ [ 1.036246 0.517989 0.7873767 ] [ 1.003677 0.2248323 2.613371 ] [ 0.7358478 1.683575 1.603856 ] [ 2.917767 0.7228741 0.0191295 ] [ 2.564023 2.34008 0.1827334 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.036246e-10 5.17989e-11 7.873767e-11 ] [ 1.003677e-10 2.248323e-11 2.613371e-10 ] [ 7.358478000000001e-11 1.683575e-10 1.603856e-10 ] [ 2.917767e-10 7.228741e-11 1.91295e-12 ] [ 2.564023e-10 2.34008e-10 1.827334e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.7821074 -58.2217772 -43.959515 ] [ 0.7645802 -22.4606748 37.5460158 ] [ -36.1756139 68.8413031 35.0089384 ] [ 35.54577 -28.8480489 -21.6786533 ] [ 12.6473711 40.6891977 -6.9167859 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.047919364083467e-08 -9.328157025126648e-08 -7.043090719470692e-08 ] [ 1.224992521166588e-09 -3.598596805195171e-08 6.015534871894741e-08 ] [ -5.795972283366752e-08 1.102959263722266e-07 5.609050262350735e-08 ] [ 5.695060166233401e-08 -4.621966950327515e-08 -3.473303148768877e-08 ] [ 2.026332229100158e-08 6.519128127404914e-08 -1.108191266005909e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 48.683837 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.800010545223801e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4859728 -0.8718324 0.7315457 ] [ 0.3964259 0.3595553 2.4134205 ] [ 1.0413354 2.6112786 2.1990404 ] [ 2.8043194 0.6188345 -0.5222488 ] [ 2.5295072 2.7715144 0.3847088 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4859728e-10 -8.718324e-11 7.315457e-11 ] [ 3.964259e-11 3.595553e-11 2.4134205e-10 ] [ 1.0413354e-10 2.6112786e-10 2.1990404e-10 ] [ 2.8043194e-10 6.188345e-11 -5.222487999999999e-11 ] [ 2.5295072e-10 2.7715144e-10 3.847088e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-07 -1.37e-05 1.3e-06 ] [ -3.4e-06 -3.9e-06 -2.3e-06 ] [ 1.22e-05 -1.87e-05 -1.65e-05 ] [ -2.1e-05 1e-07 2.33e-05 ] [ 1.19e-05 3.61e-05 -5.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.8065298624e-16 -2.194981970496e-14 2.08282960704e-15 ] [ -5.44740051072e-15 -6.24848882112e-15 -3.68500622784e-15 ] [ 1.954655477376e-14 -2.996070280896e-14 -2.64359142432e-14 ] [ -3.36457090368e-14 1.6021766208e-16 3.733071526464e-14 ] [ 1.906590178752e-14 5.783857601088001e-14 -9.292624400640001e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.566682 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853186748062819e-18 } }