{ "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" [ [ 2.096068 2.7039 2.040826 ] [ 2.700744 4.841018 2.002574 ] [ 4.164753 1.488214 0.9121723 ] [ 3.472077 2.802445 4.029704 ] [ 4.572692 3.360808 2.141211 ] [ 3.154153 3.397307 0.264031 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.096068e-10 2.7039e-10 2.040826e-10 ] [ 2.700744e-10 4.841018000000001e-10 2.002574e-10 ] [ 4.164753e-10 1.488214e-10 9.121723000000001e-11 ] [ 3.472077e-10 2.802445e-10 4.029704e-10 ] [ 4.572692e-10 3.360808e-10 2.141211e-10 ] [ 3.154153e-10 3.397307e-10 2.64031e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -20.5415511 -8.4610517 4.3941762 ] [ -1.2814528 11.6362652 3.1564087 ] [ 4.5131388 -8.770241 -3.62824 ] [ -0.6603937 -1.4311614 3.5171497 ] [ 18.0377319 6.4529573 2.9618343 ] [ -0.067473 0.5732316 -10.4013288 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.291119292738853e-08 -1.35560992211201e-08 7.040246375315786e-09 ] [ -2.053113716818698e-09 1.864335205686864e-08 5.057124224829721e-09 ] [ 7.230845471785368e-09 -1.405147508898161e-08 -5.813081302651392e-09 ] [ -1.058067346663609e-09 -2.292973335671397e-09 5.635095021193734e-09 ] [ 2.889963234243837e-08 1.033877732108069e-08 4.745381670143533e-09 ] [ -1.081036631352384e-10 9.184182678237773e-10 -1.666476582861372e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.2964111 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.281432796965611e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.8150596 2.5577576 2.0493779 ] [ 2.5271763 5.440562 2.0913558 ] [ 4.4770519 0.9683758 1.0163107 ] [ 3.4212148 2.6535789 4.0042691 ] [ 4.8722934 3.3485936 1.961605 ] [ 3.047691 3.6248241 0.2675997 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8150596e-10 2.5577576e-10 2.0493779e-10 ] [ 2.5271763e-10 5.440562e-10 2.0913558e-10 ] [ 4.4770519e-10 9.683758000000001e-11 1.0163107e-10 ] [ 3.4212148e-10 2.6535789e-10 4.0042691e-10 ] [ 4.8722934e-10 3.3485936e-10 1.961605e-10 ] [ 3.047691e-10 3.6248241e-10 2.675997e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.33e-05 9.7e-06 7.1e-06 ] [ 2e-07 -1.64e-05 1.8e-05 ] [ 1.5e-06 -5.9e-06 -1.97e-05 ] [ -9.2e-06 2.13e-05 1.57e-05 ] [ -6.8e-06 -1.8e-06 1.07e-05 ] [ 1.1e-06 -6.9e-06 -3.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.130894905664e-14 1.554111322176e-14 1.137545400768e-14 ] [ 3.2043532416e-16 -2.627569658112e-14 2.88391791744e-14 ] [ 2.4032649312e-15 -9.45284206272e-15 -3.156287942976e-14 ] [ -1.474002491136e-14 3.412636202304e-14 2.515417294656e-14 ] [ -1.089480102144e-14 -2.88391791744e-15 1.714328984256e-14 ] [ 1.76239428288e-15 -1.105501868352e-14 -5.078899887936e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.958263 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.236360264557767e-18 } }