{ "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" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1372225 -0.0999271 -0.5865588 ] [ -3.6168436 1.6681459 -0.773831 ] [ -0.7056719 -0.7362559 0.1402598 ] [ -2.5058548 1.0141536 1.9113037 ] [ 3.234916 -1.3769141 0.4439947 ] [ 1.8821705 -0.3702177 -0.8298016 ] [ 0.5740612 -0.0989848 -0.3053668 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.822031317159065e-09 -1.601008647233814e-10 -9.397708038270791e-10 ] [ -5.794822304752442e-09 2.6726643830829e-09 -1.239813946864854e-09 ] [ -1.130611029450385e-09 -1.179611999624641e-09 2.247209742495132e-10 ] [ -4.014822008756743e-09 1.624853201206982e-09 3.062246128617745e-09 ] [ 5.182906828152744e-09 -2.206059598045139e-09 7.113579339598397e-10 ] [ 3.015569596304097e-09 -5.931541484332217e-10 -1.329488734375814e-09 ] [ 9.197474411260009e-10 -1.585911336811632e-10 -4.892515517593511e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.944851005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.035299761604895e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1927924 2.7247784 1.0976832 ] [ 1.7687753 4.9313651 1.9057378 ] [ 2.2104266 3.0506624 3.4631097 ] [ 4.5053942 3.0544822 0.8400282 ] [ 4.5783339 2.9184287 3.1851007 ] [ 4.0131037 5.3253887 1.1919433 ] [ 3.6327429 5.0826735 3.5367613 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1927924e-10 2.7247784e-10 1.0976832e-10 ] [ 1.7687753e-10 4.9313651e-10 1.9057378e-10 ] [ 2.2104266e-10 3.0506624e-10 3.4631097e-10 ] [ 4.5053942e-10 3.0544822e-10 8.400282000000001e-11 ] [ 4.5783339e-10 2.9184287e-10 3.1851007e-10 ] [ 4.0131037e-10 5.3253887e-10 1.1919433e-10 ] [ 3.6327429e-10 5.0826735e-10 3.5367613e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-06 -1.1e-05 -7.6e-06 ] [ 6.4e-06 -4.6e-06 1.5e-05 ] [ -1.89e-05 1.2e-06 1.38e-05 ] [ 1.34e-05 -1.86e-05 -4.91e-05 ] [ -5e-07 1.6e-06 2.21e-05 ] [ 7.3e-06 1.93e-05 -3.4e-06 ] [ -6.8e-06 1.21e-05 9.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.602176634e-15 -1.7623942974e-14 -1.21765424184e-14 ] [ 1.02539304576e-14 -7.370012516399999e-15 2.403264951e-14 ] [ -3.02811383826e-14 1.9226119608e-15 2.21100375492e-14 ] [ 2.14691668956e-14 -2.98004853924e-14 -7.866687272939998e-14 ] [ -8.010883169999999e-16 2.5634826144e-15 3.54081036114e-14 ] [ 1.16958894282e-14 3.09220090362e-14 -5.4474005556e-15 ] [ -1.08948011112e-14 1.93863372714e-14 1.47400250328e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.509265005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.285946517275143e-18 } }