{ "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" [ [ 1.152391 0.2084818 1.476287 ] [ 0.2004725 1.985654 1.37487 ] [ 0.8976264 2.29727 2.845471 ] [ 1.752289 1.001076 2.997864 ] [ 1.785348 1.533822 0.3428561 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.152391e-10 2.084818e-11 1.476287e-10 ] [ 2.004725e-11 1.985654e-10 1.37487e-10 ] [ 8.976264000000001e-11 2.29727e-10 2.845471e-10 ] [ 1.752289e-10 1.001076e-10 2.997864e-10 ] [ 1.785348e-10 1.533822e-10 3.428561e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3896533 -61.4669332 -19.1074105 ] [ -52.6942027 25.8987717 -35.9007 ] [ -18.110752 65.936406 56.9902358 ] [ 44.3475235 -37.9269848 58.631049 ] [ 27.8470845 7.5587402 -60.6131742 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.226470028277569e-09 -9.848088332531533e-08 -3.061344638712844e-08 ] [ -8.442541961763624e-08 4.149440652517668e-08 -5.751926221035456e-08 ] [ -2.901662343950684e-08 1.056417681527769e-07 9.130842341263919e-08 ] [ 7.10525653420786e-08 -6.076572834399696e-08 9.393729596077922e-08 ] [ 4.461594774334207e-08 1.211043683114112e-08 -9.711301061571775e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 68.223991 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.093068833578696e-17 } "relaxed-configuration-positions" { "source-value" [ [ 2.0894688 -0.3128301 1.3797922 ] [ 0.2077158 2.9740926 1.0077803 ] [ 0.5995029 2.6162013 3.2991825 ] [ 1.7625122 0.5847806 3.5290988 ] [ 1.1289272 1.1640594 -0.1785058 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0894688e-10 -3.128301e-11 1.3797922e-10 ] [ 2.077158e-11 2.9740926e-10 1.0077803e-10 ] [ 5.995029e-11 2.6162013e-10 3.2991825e-10 ] [ 1.7625122e-10 5.847806e-11 3.5290988e-10 ] [ 1.1289272e-10 1.1640594e-10 -1.785058e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.34e-05 9.1e-06 -2.79e-05 ] [ 6e-07 4.14e-05 -5.58e-05 ] [ 6e-07 -1.27e-05 3.54e-05 ] [ -7.9e-06 -8.5e-06 6.6e-06 ] [ -1.67e-05 -2.94e-05 4.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.749093292672001e-14 1.457980724928e-14 -4.470072772032e-14 ] [ 9.6130597248e-16 6.633011210111999e-14 -8.940145544064e-14 ] [ 9.6130597248e-16 -2.034764308416e-14 5.671705237632e-14 ] [ -1.265719530432e-14 -1.36185012768e-14 1.057436569728e-14 ] [ -2.675634956736e-14 -4.710399265152e-14 6.665054742528e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.83321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.735671579021677e-18 } }