{ "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" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.8449816 -8.1746356 -3.3975888 ] [ -9.5694379 9.1029722 -1.2412883 ] [ 10.8737686 -7.9430135 3.9189893 ] [ -8.1758614 -10.9131187 9.2228016 ] [ -1.8732071 5.4611676 -15.5009483 ] [ 2.0378886 11.8690302 -1.1585039 ] [ 11.5518309 0.5975978 8.1565383 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.762516311679934e-09 -1.309721014978457e-08 -5.443537387300098e-09 ] [ -1.533192980389403e-08 1.458456935879157e-08 -1.988763110317582e-09 ] [ 1.742169797444289e-08 -1.272611063324656e-08 6.278913085356015e-09 ] [ -1.309917409790253e-08 -1.748474378520846e-08 1.477655722353781e-08 ] [ -3.001208646262901e-09 8.749755123077856e-09 -2.483525717110202e-08 ] [ 3.265057497614972e-09 1.901628285468034e-08 -1.856127878977872e-09 ] [ 1.850807354789919e-08 9.57457231689805e-10 1.306821507858608e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -18.367208 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.942751148941787e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.567929 2.517262 3.4044433 ] [ 2.5919597 4.9816396 3.031383 ] [ 6.1972125 2.7790438 1.4137773 ] [ 3.6321601 2.6161049 1.1602235 ] [ 4.8628583 1.5116169 3.094846 ] [ 4.7267071 4.7925694 1.7206687 ] [ 4.6715463 3.8111734 4.0191301 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.567929e-10 2.517262e-10 3.4044433e-10 ] [ 2.5919597e-10 4.9816396e-10 3.031383e-10 ] [ 6.1972125e-10 2.7790438e-10 1.4137773e-10 ] [ 3.6321601e-10 2.6161049e-10 1.1602235e-10 ] [ 4.8628583e-10 1.5116169e-10 3.094846e-10 ] [ 4.726707099999999e-10 4.7925694e-10 1.7206687e-10 ] [ 4.6715463e-10 3.8111734e-10 4.0191301e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.34e-05 6.88e-05 -2.87e-05 ] [ -1.01e-05 -7e-07 1.99e-05 ] [ 3e-07 3.71e-05 -3.82e-05 ] [ 3.19e-05 -4.07e-05 -3.91e-05 ] [ 2.64e-05 -8.92e-05 3.68e-05 ] [ -3.34e-05 -8e-06 1.73e-05 ] [ 4.83e-05 3.27e-05 3.2e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.015779985956e-13 1.102297524192e-13 -4.598246939579999e-14 ] [ -1.61819840034e-14 -1.1215236438e-15 3.18833150166e-14 ] [ 4.806529901999999e-16 5.94407531214e-14 -6.12031474188e-14 ] [ 5.11094346246e-14 -6.520858900379999e-14 -6.26451063894e-14 ] [ 4.22974631376e-14 -1.429141557528e-13 5.896010013119999e-14 ] [ -5.351269957559999e-14 -1.2817413072e-14 2.77176557682e-14 ] [ 7.73851314222e-14 5.23911759318e-14 5.126965228799999e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.335586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.219426053189752e-18 } }