{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.388802 -6.7155776 0.9001871 ] [ -2.5649765 -6.6272758 7.8996156 ] [ -7.2646901 13.8972748 -5.3231277 ] [ -0.2235845 -3.8621216 -3.7688988 ] [ 7.4223766 -3.1683256 6.5700212 ] [ 2.7749728 -0.7244932 -12.8993179 ] [ 3.2447038 7.2005191 6.6215205 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.429459381652468e-09 -1.07595415145338e-08 1.442258737848221e-09 ] [ -4.109545415059101e-09 -1.061806643383365e-08 1.265657953190189e-08 ] [ -1.163931673147112e-08 2.226588896083702e-08 -8.52859082073816e-09 ] [ -3.582218616245729e-10 -6.187800985186694e-09 -6.038441593270639e-09 ] [ 1.189195835726836e-08 -5.07621724522403e-09 1.052633445152464e-08 ] [ 4.445996580145555e-09 -1.160766076531889e-09 -2.066698573391795e-08 ] [ 5.198588612611009e-09 1.153650345469071e-08 1.0608845426652e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.3323603 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.174773634472923e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5755437 2.2010717 2.6717318 ] [ 2.499219 2.4405566 4.9952792 ] [ 2.0308248 4.513348 2.1119122 ] [ 3.8156155 1.6225881 1.7487649 ] [ 4.7853667 2.4113637 3.8235527 ] [ 4.0323929 3.8648645 0.637652 ] [ 3.9786263 4.7039195 3.5742821 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5755437e-10 2.2010717e-10 2.6717318e-10 ] [ 2.499219e-10 2.4405566e-10 4.9952792e-10 ] [ 2.0308248e-10 4.513348e-10 2.1119122e-10 ] [ 3.8156155e-10 1.6225881e-10 1.7487649e-10 ] [ 4.7853667e-10 2.4113637e-10 3.8235527e-10 ] [ 4.0323929e-10 3.8648645e-10 6.37652e-11 ] [ 3.9786263e-10 4.7039195e-10 3.5742821e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.8e-06 -1.2e-05 2.3e-05 ] [ 2.7e-06 -2.13e-05 -3.04e-05 ] [ -6.25e-05 2.34e-05 -8.3e-06 ] [ 2.2e-05 1.7e-06 2.48e-05 ] [ -3.3e-05 -4e-06 -2.5e-06 ] [ 1.71e-05 6.8e-06 2.35e-05 ] [ 5.87e-05 5.4e-06 -3.02e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.690447843199998e-15 -1.9226119608e-14 3.6850062582e-14 ] [ 4.3258769118e-15 -3.41263623042e-14 -4.870616967359999e-14 ] [ -1.00136039625e-13 3.749093323559999e-14 -1.32980660622e-14 ] [ 3.5247885948e-14 2.7237002778e-15 3.97339805232e-14 ] [ -5.287182892199999e-14 -6.408706535999999e-15 -4.005441585e-15 ] [ 2.73972204414e-14 1.08948011112e-14 3.765115089899999e-14 ] [ 9.404776841579999e-14 8.6517538236e-15 -4.838573434679999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.714404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.998378080803613e-18 } }