{ "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" [ [ 1.104984 0.7498219 0.2438631 ] [ 0.0561128 2.748087 0.5245136 ] [ 1.296365 1.928403 2.567713 ] [ 2.230186 0.0250453 1.984887 ] [ 2.914783 2.131976 0.9359872 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.104984e-10 7.498219000000001e-11 2.438631e-11 ] [ 5.61128e-12 2.748087e-10 5.245136000000001e-11 ] [ 1.296365e-10 1.928403e-10 2.567713e-10 ] [ 2.230186e-10 2.50453e-12 1.984887e-10 ] [ 2.914783e-10 2.131976e-10 9.359872e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9038556 -3.0605369 -5.1547114 ] [ -2.9028874 1.4271647 -0.6147344 ] [ -1.2069419 2.5895154 5.3599752 ] [ 0.7042282 -3.4131271 1.6509006 ] [ 5.3094566 2.456984 -1.24143 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.050312931699156e-09 -4.903520668275708e-09 -8.258758092051238e-09 ] [ -4.650938325094899e-09 2.286569916371046e-09 -9.849130836815155e-10 ] [ -1.933734094843932e-09 4.14886103308156e-09 8.587626953507805e-09 ] [ 1.128297957748066e-09 -5.468432443438905e-09 2.645034344584692e-09 ] [ 8.506687233672257e-09 3.936522322479667e-09 -1.988990122359744e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.8997801 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.265684298568109e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0628388 0.4741564 -0.2147267 ] [ 0.180316 2.676467 0.6994791 ] [ 1.1938648 2.1405649 2.968905 ] [ 2.0763253 -0.0617858 2.0547237 ] [ 3.0890858 2.3539308 0.7485827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0628388e-10 4.741564e-11 -2.147267e-11 ] [ 1.80316e-11 2.676467e-10 6.994791000000001e-11 ] [ 1.1938648e-10 2.1405649e-10 2.968905e-10 ] [ 2.0763253e-10 -6.17858e-12 2.0547237e-10 ] [ 3.0890858e-10 2.3539308e-10 7.485827000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.7e-06 -3.36e-05 1.09e-05 ] [ 1.06e-05 4.29e-05 -2.07e-05 ] [ 1.77e-05 -4.31e-05 2.3e-06 ] [ 2.13e-05 8.27e-05 -2.9e-05 ] [ -5.32e-05 -4.89e-05 3.65e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.928053496960001e-15 -5.383313445888e-14 1.746372516672e-14 ] [ 1.698307218048e-14 6.873337703232e-14 -3.316505605055999e-14 ] [ 2.835852618816e-14 -6.905381235648e-14 3.68500622784e-15 ] [ 3.412636202304e-14 1.3250000654016e-13 -4.64631220032e-14 ] [ -8.523579622656e-14 -7.834643675712001e-14 5.84794466592e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.743551 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.041741947817246e-18 } }