{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.480644 1.446872 2.305559 ] [ 2.063952 3.613106 1.277693 ] [ 1.847715 3.513174 3.941338 ] [ 3.676983 1.999062 1.431631 ] [ 3.525184 1.303022 4.049537 ] [ 4.005288 3.245475 3.233925 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.480644e-10 1.446872e-10 2.305559e-10 ] [ 2.063952e-10 3.613106000000001e-10 1.277693e-10 ] [ 1.847715e-10 3.513174e-10 3.941338e-10 ] [ 3.676983e-10 1.999062e-10 1.431631e-10 ] [ 3.525184e-10 1.303022e-10 4.049537e-10 ] [ 4.005288e-10 3.245475e-10 3.233925e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2829409 0.0972884 0.6340221 ] [ -1.2270481 0.9708827 -0.389765 ] [ -1.3389868 0.6148996 -0.4129439 ] [ 0.5856699 -1.1816472 -1.4765018 ] [ -0.1054392 -2.552692 1.005469 ] [ 1.8028634 2.0512685 0.6397197 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.533212987829306e-10 1.558732012392456e-10 1.015815394059611e-09 ] [ -1.965947794614095e-09 1.555525576294831e-09 -6.244723757510099e-10 ] [ -2.145293364194431e-09 9.851777713759464e-10 -6.616090677328325e-10 ] [ 9.383466290171165e-10 -1.893207533471525e-09 -2.365616684018941e-09 ] [ -1.689322225476528e-10 -4.089863476198727e-09 1.610938938011346e-09 ] [ 2.888505613773795e-09 3.286494460760229e-09 1.02494395564949e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.443873719227609 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314163697739315e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7291266 1.2432919 2.6939753 ] [ 2.0205354 3.9568672 1.2061684 ] [ 1.7309863 3.5282022 3.4927859 ] [ 3.4833128 2.1262417 1.2790018 ] [ 3.5127213 1.0833724 4.2070588 ] [ 4.1230836 3.1827356 3.3606929 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7291266e-10 1.2432919e-10 2.6939753e-10 ] [ 2.0205354e-10 3.9568672e-10 1.2061684e-10 ] [ 1.7309863e-10 3.5282022e-10 3.4927859e-10 ] [ 3.4833128e-10 2.1262417e-10 1.2790018e-10 ] [ 3.5127213e-10 1.0833724e-10 4.2070588e-10 ] [ 4.1230836e-10 3.1827356e-10 3.3606929e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.14e-05 -8e-06 -7.2e-06 ] [ -2.3e-06 -1.05e-05 5e-06 ] [ -1.02e-05 2.55e-05 -2.6e-06 ] [ 3.7e-06 9.3e-06 -2.28e-05 ] [ 1.06e-05 -2.68e-05 2.46e-05 ] [ 9.6e-06 1.05e-05 2.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.82648136276e-14 -1.2817413072e-14 -1.15356717648e-14 ] [ -3.685006258199999e-15 -1.6822854657e-14 8.010883169999999e-15 ] [ -1.63422016668e-14 4.0855504167e-14 -4.165659248399999e-15 ] [ 5.9280535458e-15 1.49002426962e-14 -3.65296272552e-14 ] [ 1.69830723204e-14 -4.293833379119999e-14 3.94135451964e-14 ] [ 1.53808956864e-14 1.6822854657e-14 4.6463122386e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.647189719227608 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.667173838991149e-18 } }