{ "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" [ [ 1.063375 0.5708417 2.359419 ] [ 2.68579 2.886891 2.868985 ] [ 0.6763911 2.686272 1.583941 ] [ 2.607368 0.7750333 4.497523 ] [ 3.625325 0.6457468 2.38821 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.063375e-10 5.708417e-11 2.359419e-10 ] [ 2.68579e-10 2.886891e-10 2.868985e-10 ] [ 6.763911e-11 2.686272e-10 1.583941e-10 ] [ 2.607368e-10 7.750333e-11 4.497523e-10 ] [ 3.625325e-10 6.457468e-11 2.38821e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7304331 -0.1223344 1.0689534 ] [ -0.6516136 -1.5281105 0.164749 ] [ -0.1527193 1.0413598 -0.1917228 ] [ -0.8036963 0.6716786 -0.3855711 ] [ -0.1224039 -0.0625934 -0.6564086 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.772459479520185e-09 -1.960013172144096e-10 1.712652160314855e-09 ] [ -1.044000084316622e-09 -2.448302937270057e-09 2.63956998274866e-10 ] [ -2.446832940208362e-10 1.668442339146913e-09 -3.071737903650551e-10 ] [ -1.287663432692254e-09 1.076147758477832e-09 -6.177530071656773e-10 ] [ -1.961126684904726e-10 -1.002856829226156e-10 -1.051682521276652e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.606232 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.179958698718309e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.241988 0.6229909 2.3671429 ] [ 2.62832 2.7237751 2.8371446 ] [ 0.5671282 2.7902865 1.645051 ] [ 2.5067601 0.876676 4.4771897 ] [ 3.7140528 0.5510563 2.3715497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.241988e-10 6.229909e-11 2.3671429e-10 ] [ 2.62832e-10 2.7237751e-10 2.8371446e-10 ] [ 5.671282e-11 2.7902865e-10 1.645051e-10 ] [ 2.5067601e-10 8.76676e-11 4.4771897e-10 ] [ 3.7140528e-10 5.510563000000001e-11 2.3715497e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-06 2.7e-06 1.8e-06 ] [ -1.7e-06 -1.6e-06 -2.1e-06 ] [ 2e-06 -1.2e-06 1.1e-06 ] [ -1.1e-06 -1.1e-06 -1.1e-06 ] [ 1.8e-06 1.2e-06 2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.602176634e-15 4.3258769118e-15 2.8839179412e-15 ] [ -2.7237002778e-15 -2.5634826144e-15 -3.364570931399999e-15 ] [ 3.204353268e-15 -1.9226119608e-15 1.7623942974e-15 ] [ -1.7623942974e-15 -1.7623942974e-15 -1.7623942974e-15 ] [ 2.8839179412e-15 1.9226119608e-15 3.204353268e-16 ] ] } "relaxed-potential-energy" { "source-value" -14.106836 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.260164301887002e-18 } }