{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7534865 -4.0853911 4.2354835 ] [ -0.440088 2.4028099 -1.1664711 ] [ -6.4842175 2.1911964 -4.6834292 ] [ 0.5081124 4.1379811 2.2860628 ] [ 4.6056463 -3.7828536 -1.3087472 ] [ 1.6878022 -0.0240772 0.0612345 ] [ 1.8762311 -0.8396656 0.5758668 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.809395098334441e-09 -6.545518161171556e-09 6.785992697392539e-09 ] [ -7.050987105037919e-10 3.849725877723876e-09 -1.868892740656277e-09 ] [ -1.038886176827389e-08 3.510683672584917e-09 -7.503680831233312e-09 ] [ 8.140858147256615e-10 6.629776630353616e-09 3.662676402016615e-09 ] [ 7.379058886328554e-09 -6.060799647762782e-09 -2.096844183652925e-09 ] [ 2.704157247653794e-09 -3.85759272521448e-11 9.810848509467298e-11 ] [ 3.006053628404117e-09 -1.34529260469359e-09 9.226403312563511e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.661336 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.868352006042302e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6921771 4.1448369 3.2687142 ] [ 2.6821567 5.4586561 0.2699915 ] [ 1.422359 3.6554176 1.0913905 ] [ 2.628742 4.1750772 4.5669966 ] [ 3.2142935 2.2062668 1.6456345 ] [ 4.6187166 5.4888253 1.5682789 ] [ 4.3759542 3.701453 3.0715468 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.921771e-11 4.1448369e-10 3.2687142e-10 ] [ 2.6821567e-10 5.4586561e-10 2.699915e-11 ] [ 1.422359e-10 3.6554176e-10 1.0913905e-10 ] [ 2.628742e-10 4.1750772e-10 4.566996600000001e-10 ] [ 3.2142935e-10 2.2062668e-10 1.6456345e-10 ] [ 4.6187166e-10 5.488825300000001e-10 1.5682789e-10 ] [ 4.3759542e-10 3.701453e-10 3.0715468e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.72e-05 3.55e-05 7.2e-06 ] [ -2.18e-05 -3.61e-05 2.5e-06 ] [ -1.3e-05 -8.7e-06 -4.64e-05 ] [ -1.6e-05 -3.02e-05 3.43e-05 ] [ 1.25e-05 3.89e-05 3.5e-06 ] [ 4.8e-06 -1.13e-05 1.19e-05 ] [ -3.6e-06 1.2e-05 -1.29e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.96009707848e-14 5.6877270507e-14 1.15356717648e-14 ] [ -3.492745062119999e-14 -5.783857648740001e-14 4.005441585e-15 ] [ -2.082829624199999e-14 -1.39389367158e-14 -7.43409958176e-14 ] [ -2.5634826144e-14 -4.838573434679999e-14 5.49546585462e-14 ] [ 2.0027207925e-14 6.232467106259999e-14 5.607618218999999e-15 ] [ 7.690447843199998e-15 -1.81045959642e-14 1.90659019446e-14 ] [ -5.767835882399999e-15 1.9226119608e-14 -2.06680785786e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.649165 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.987925640661061e-18 } }