{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0518525 -1.1793621 -1.8244446 ] [ -3.7982171 -0.5819691 1.3953235 ] [ -12.5645166 1.8883625 -0.2312513 ] [ 2.8100535 -7.9121604 -4.998674 ] [ 1.7350698 -2.332799 2.984227 ] [ 9.3654536 4.3564844 -2.8462362 ] [ 2.5040093 5.7614437 5.5210556 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.3076863914485e-11 -1.889546399645171e-09 -2.923082508147476e-09 ] [ -6.08541468847924e-09 -9.324172937300094e-10 2.235554708571099e-09 ] [ -2.013057491402512e-08 3.025490274021825e-09 -3.705054294421241e-10 ] [ 4.502202057989918e-09 -1.267667851734009e-08 -8.008758683783316e-09 ] [ 2.779888291919053e-09 -3.737556049618566e-09 4.781258769951918e-09 ] [ 1.500511092473118e-08 6.97985751206551e-09 -4.56017313448495e-09 ] [ 4.011865191778696e-09 9.230850474246505e-09 8.84570627733485e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.61528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.021190684736752e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4803663 0.3984073 1.2665627 ] [ 0.919786 1.7792123 3.3102921 ] [ 1.1391052 3.9764549 2.1527371 ] [ 3.7921879 1.2502825 1.8402675 ] [ 3.1971862 1.5114211 4.2158047 ] [ 3.5962307 3.7078499 1.8266856 ] [ 4.1602897 3.8494927 4.2882873 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4803663e-10 3.984073e-11 1.2665627e-10 ] [ 9.197860000000001e-11 1.7792123e-10 3.3102921e-10 ] [ 1.1391052e-10 3.9764549e-10 2.1527371e-10 ] [ 3.7921879e-10 1.2502825e-10 1.8402675e-10 ] [ 3.1971862e-10 1.5114211e-10 4.2158047e-10 ] [ 3.5962307e-10 3.7078499e-10 1.8266856e-10 ] [ 4.1602897e-10 3.8494927e-10 4.2882873e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.68e-05 -2.84e-05 1.25e-05 ] [ -2.62e-05 2.28e-05 -1.29e-05 ] [ 1.08e-05 -9.8e-06 -6.5e-06 ] [ -9.9e-06 2.21e-05 -4.1e-06 ] [ 4.59e-05 -1.87e-05 7.4e-06 ] [ 2.37e-05 2.32e-05 1.16e-05 ] [ -2.76e-05 -1.12e-05 -8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.691656745119999e-14 -4.550181640559999e-14 2.0027207925e-14 ] [ -4.197702781079999e-14 3.65296272552e-14 -2.06680785786e-14 ] [ 1.73035076472e-14 -1.57013310132e-14 -1.0414148121e-14 ] [ -1.58615486766e-14 3.54081036114e-14 -6.568924199399999e-15 ] [ 7.353990750059999e-14 -2.99607030558e-14 1.18561070916e-14 ] [ 3.79715862258e-14 3.71704979088e-14 1.85852489544e-14 ] [ -4.42200750984e-14 -1.79443783008e-14 -1.2817413072e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.813779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334735037903988e-18 } }