{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.468554 0.0062453 1.779472 ] [ 0.0137549 1.819656 0.3703857 ] [ 0.6368997 2.724291 2.946976 ] [ 2.361208 0.5254432 0.0878272 ] [ 1.952332 1.317185 1.267695 ] [ 2.764287 2.133831 2.76552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.685540000000001e-11 6.2453e-13 1.779472e-10 ] [ 1.37549e-12 1.819656e-10 3.703857e-11 ] [ 6.368997e-11 2.724291e-10 2.946976e-10 ] [ 2.361208e-10 5.254432e-11 8.782719999999999e-12 ] [ 1.952332e-10 1.317185e-10 1.267695e-10 ] [ 2.764287e-10 2.133831e-10 2.76552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.0369933 -3.4597635 2.0940238 ] [ -1.8123331 1.4606288 0.0649437 ] [ -2.3408754 0.7143735 0.1214977 ] [ 18.5304713 -30.966505 -46.5142476 ] [ -18.6421347 26.7149028 33.6275591 ] [ 8.3018652 5.5363634 10.6062233 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.46797628358624e-09 -5.543152193197182e-09 3.354995975758775e-09 ] [ -2.903677721921989e-09 2.340185315027159e-09 1.04051277808249e-10 ] [ -3.750495838085848e-09 1.144552520219069e-09 1.946607744209721e-10 ] [ 2.968908788926538e-08 -4.96138103388863e-08 -7.452404003882251e-08 ] [ -2.986799237814442e-08 4.280199269310446e-08 5.387728900459029e-08 ] [ 1.330105433247312e-08 8.870232003732799e-09 1.699304300624423e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.44577595 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.142118052049098e-20 } "relaxed-configuration-positions" { "source-value" [ [ 0.1057894 -0.1324597 1.7077618 ] [ 0.5181474 2.0275715 0.708627 ] [ 0.3447281 1.8119673 3.0468754 ] [ 1.8274871 0.0892972 0.1062867 ] [ 2.8701287 2.1372677 0.6977605 ] [ 2.5307549 2.5930074 2.9505645 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.057894e-11 -1.324597e-11 1.7077618e-10 ] [ 5.181474e-11 2.0275715e-10 7.086270000000001e-11 ] [ 3.447281e-11 1.8119673e-10 3.0468754e-10 ] [ 1.8274871e-10 8.92972e-12 1.062867e-11 ] [ 2.8701287e-10 2.1372677e-10 6.977605e-11 ] [ 2.5307549e-10 2.5930074e-10 2.9505645e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.8e-06 -1.42e-05 7.9e-06 ] [ 1.04e-05 7.7e-06 -1.1e-05 ] [ -4.8e-06 1.31e-05 2.9e-06 ] [ 1.2e-06 1.29e-05 -5.9e-06 ] [ -1.57e-05 -1.73e-05 -1.43e-05 ] [ -9e-07 -2.3e-06 2.04e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.570133088384e-14 -2.275090801536e-14 1.265719530432e-14 ] [ 1.666263685632e-14 1.233675998016e-14 -1.76239428288e-14 ] [ -7.69044777984e-15 2.098851373248e-14 4.646312200320001e-15 ] [ 1.92261194496e-15 2.066807840832e-14 -9.45284206272e-15 ] [ -2.515417294656e-14 -2.771765553984e-14 -2.291112567744e-14 ] [ -1.44195895872e-15 -3.68500622784e-15 3.268440306432e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.017216 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.72645856263037e-18 } }