{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3344601 1.2349066 -0.4159854 ] [ 0.6374596 0.3011433 0.803703 ] [ -1.7515329 -1.2154248 1.4514455 ] [ -1.2673625 -3.1689548 -1.494932 ] [ -0.5715444 0.8409259 -0.1682492 ] [ 2.6084802 1.795017 -0.7433815 ] [ 0.67896 0.2123868 0.5673997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.3586415281043e-10 1.978538483391617e-09 -6.664820824741363e-10 ] [ 1.02132286782452e-09 4.824847547705606e-10 1.287674156666822e-09 ] [ -2.806265062942024e-09 -1.947325198900516e-09 2.325472046465367e-09 ] [ -2.03053856757864e-09 -5.07722529293194e-09 -2.395145100085786e-09 ] [ -9.157150754291634e-10 1.347311816805199e-09 -2.695649347083033e-10 ] [ 4.179245992259707e-09 2.875934271338554e-09 -1.191028459635235e-09 ] [ 1.087813838458368e-09 3.402811655265254e-10 9.090745339889337e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -28.528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.57068946381824e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2855324 1.0053295 3.6546533 ] [ 1.5791991 3.1336136 4.3191355 ] [ 1.7494355 4.4404549 2.4084774 ] [ 3.2105856 2.6076228 2.1354574 ] [ 3.7623135 2.3727708 4.8459784 ] [ 3.9896155 5.0275034 2.4019456 ] [ 5.1978034 3.2386796 3.2406743 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2855324e-10 1.0053295e-10 3.6546533e-10 ] [ 1.5791991e-10 3.1336136e-10 4.3191355e-10 ] [ 1.7494355e-10 4.4404549e-10 2.4084774e-10 ] [ 3.2105856e-10 2.6076228e-10 2.1354574e-10 ] [ 3.7623135e-10 2.3727708e-10 4.845978400000001e-10 ] [ 3.9896155e-10 5.0275034e-10 2.4019456e-10 ] [ 5.1978034e-10 3.238679600000001e-10 3.2406743e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9e-07 8e-06 -1.6e-06 ] [ -1e-06 -2.5e-06 -1.36e-05 ] [ 2.23e-05 -1.39e-05 1.97e-05 ] [ -1.16e-05 -2.22e-05 2.8e-06 ] [ 9.4e-06 9.4e-06 -1.36e-05 ] [ 8.5e-06 1.73e-05 -8e-07 ] [ -2.66e-05 3.8e-06 7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.44195895872e-15 1.28174129664e-14 -2.56348259328e-15 ] [ -1.6021766208e-15 -4.005441552e-15 -2.178960204288e-14 ] [ 3.572853864384e-14 -2.227025502912e-14 3.156287942976e-14 ] [ -1.858524880128e-14 -3.556832098176e-14 4.48609453824e-15 ] [ 1.506046023552e-14 1.506046023552e-14 -2.178960204288e-14 ] [ 1.36185012768e-14 2.771765553984e-14 -1.28174129664e-15 ] [ -4.261789811328e-14 6.08827115904e-15 1.12152363456e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.295028 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.853798558808139e-18 } }