{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2948986 0.4767492 -0.2055399 ] [ -0.0657943 0.449387 0.2829591 ] [ -2.0061132 -0.4879115 1.0088373 ] [ -1.001718 -2.147144 -0.7336056 ] [ 0.2935857 0.1176439 0.1826007 ] [ 2.5085894 1.3657313 -0.9691769 ] [ 0.566349 0.2255441 0.4339253 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.724796463193124e-10 7.638364285181926e-10 -3.293112251346965e-10 ] [ -1.054140901103862e-10 7.199973510233578e-10 4.533504583976694e-10 ] [ -3.214147694198969e-09 -7.817204047598909e-10 1.616335549567648e-09 ] [ -1.604929173457212e-09 -3.440103946633295e-09 -1.17536575089155e-09 ] [ 4.703761486165338e-10 1.884863077126326e-10 2.925585748920438e-10 ] [ 4.019203320980079e-09 2.188142777182444e-09 -1.552792583392554e-09 ] [ 9.073911344892659e-10 3.613614869565593e-10 6.952249765614401e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.788582 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.330698033439299e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3721426 1.2347021 3.545729 ] [ 1.5516393 3.2325934 4.4958525 ] [ 1.8764934 4.2505839 2.4446155 ] [ 3.2425743 2.4348054 1.7572686 ] [ 3.7420512 2.4479473 5.0353388 ] [ 4.0057959 5.0879402 2.5175979 ] [ 4.9837883 3.1374024 3.2099196 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3721426e-10 1.2347021e-10 3.545729e-10 ] [ 1.5516393e-10 3.2325934e-10 4.4958525e-10 ] [ 1.8764934e-10 4.2505839e-10 2.4446155e-10 ] [ 3.2425743e-10 2.4348054e-10 1.7572686e-10 ] [ 3.7420512e-10 2.4479473e-10 5.0353388e-10 ] [ 4.0057959e-10 5.087940200000001e-10 2.5175979e-10 ] [ 4.983788299999999e-10 3.1374024e-10 3.2099196e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.19e-05 -5.36e-05 1.38e-05 ] [ 3.04e-05 3.99e-05 -5e-06 ] [ 6.2e-06 1.61e-05 -3.31e-05 ] [ 5e-07 -6.7e-06 -4.13e-05 ] [ 1.77e-05 -1.2e-06 2.5e-05 ] [ -4.39e-05 1.31e-05 3.65e-05 ] [ 1.1e-05 -7.6e-06 4.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.50876682846e-14 -8.587666758239999e-14 2.21100375492e-14 ] [ 4.870616967359999e-14 6.392684769659999e-14 -8.010883169999999e-15 ] [ 9.9334951308e-15 2.579504380739999e-14 -5.303204658539999e-14 ] [ 8.010883169999999e-16 -1.07345834478e-14 -6.61698949842e-14 ] [ 2.83585264218e-14 -1.9226119608e-15 4.005441585e-14 ] [ -7.03355542326e-14 2.09885139054e-14 5.847944714099999e-14 ] [ 1.7623942974e-14 -1.21765424184e-14 6.568924199399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.704295 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.637629094044303e-18 } }