{ "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" [ [ 3.027282 5.632261 2.076972 ] [ 2.884751 3.592598 1.127951 ] [ 2.371812 3.264152 3.427474 ] [ 4.423647 2.751313 2.650154 ] [ 4.69656 4.49664 0.8853521 ] [ 4.67919 4.727196 3.249691 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.027282e-10 5.632261e-10 2.076972e-10 ] [ 2.884751e-10 3.592598e-10 1.127951e-10 ] [ 2.371812e-10 3.264152e-10 3.427474e-10 ] [ 4.423647e-10 2.751313e-10 2.650154e-10 ] [ 4.69656e-10 4.496640000000001e-10 8.853521e-11 ] [ 4.679190000000001e-10 4.727196000000001e-10 3.249691e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.558259 4.0203397 0.4403713 ] [ -8.5301504 -4.9107321 -2.7443194 ] [ -2.5226287 -0.4632 1.1184527 ] [ 2.0923623 -7.419788 -0.2595908 ] [ 7.5186434 2.8932536 -3.648505 ] [ 4.0000323 5.8801269 5.0935913 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.098782759751187e-09 6.441294275014086e-09 7.055526013313031e-10 ] [ -1.366680754278777e-08 -7.867860161632087e-09 -4.396884382687884e-09 ] [ -4.041696726099097e-09 -7.421282107545599e-10 1.791958767410636e-09 ] [ 3.352333959303316e-09 -1.188781086489239e-08 -4.159103107347687e-10 ] [ 1.204619467561222e-08 4.635503275965435e-09 -5.845549411871905e-09 ] [ 6.408758233504852e-09 9.42100184651718e-09 8.160832896770279e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.893094 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.225919039737676e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9098562 5.4943217 2.3467226 ] [ 2.6743693 3.3679637 0.9125976 ] [ 2.1761548 3.3864047 3.2897341 ] [ 4.4242255 2.7139459 2.6856838 ] [ 4.8147426 4.5327526 0.9043368 ] [ 5.0838936 4.9687713 3.2785192 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9098562e-10 5.494321700000001e-10 2.3467226e-10 ] [ 2.6743693e-10 3.3679637e-10 9.125976000000001e-11 ] [ 2.1761548e-10 3.3864047e-10 3.2897341e-10 ] [ 4.4242255e-10 2.7139459e-10 2.6856838e-10 ] [ 4.814742599999999e-10 4.5327526e-10 9.043368000000001e-11 ] [ 5.0838936e-10 4.968771300000001e-10 3.2785192e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.3e-06 7.1e-06 1.21e-05 ] [ 2.5e-06 4e-07 9.5e-06 ] [ 7e-07 -2.1e-06 -1.87e-05 ] [ 2.2e-06 -4.3e-06 -1.3e-05 ] [ -1.18e-05 -2.34e-05 -9e-07 ] [ -9e-07 2.23e-05 1.1e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.169588933184e-14 1.137545400768e-14 1.938633711168e-14 ] [ 4.005441552e-15 6.408706483200001e-16 1.52206778976e-14 ] [ 1.12152363456e-15 -3.36457090368e-15 -2.996070280896e-14 ] [ 3.52478856576e-15 -6.889359469440001e-15 -2.08282960704e-14 ] [ -1.890568412544e-14 -3.749093292672001e-14 -1.44195895872e-15 ] [ -1.44195895872e-15 3.572853864384e-14 1.76239428288e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.357775 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.781022129410672e-18 } }