{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.715482 1.558119 0.3191032 ] [ 2.111919 2.384646 2.793656 ] [ 0.6473775 3.949576 0.9928713 ] [ 3.842985 1.188798 1.171985 ] [ 3.145034 3.056438 0.3971002 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.715482e-10 1.558119e-10 3.191032e-11 ] [ 2.111919e-10 2.384646e-10 2.793656e-10 ] [ 6.473775000000001e-11 3.949576e-10 9.928713000000001e-11 ] [ 3.842985e-10 1.188798e-10 1.171985e-10 ] [ 3.145034e-10 3.056438e-10 3.971002e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.1048847 -8.9634031 -6.2055359 ] [ -3.058317 1.6066312 8.5906337 ] [ -0.0282688 -0.5169247 1.999521 ] [ 4.6994476 -5.8057758 2.9823081 ] [ 8.4920228 13.6794724 -7.3669268 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.618981002221962e-08 -1.436095488962625e-08 -9.942364538515087e-09 ] [ -4.899963996395194e-09 2.574106946887849e-09 1.37637124719966e-08 ] [ -4.529161045807104e-11 -8.282046690540537e-10 3.203585798998637e-09 ] [ 7.52934507539467e-09 -9.301878252366416e-09 4.778184313842469e-09 ] [ 1.360572039346056e-08 2.191693086415886e-08 -1.180311788610496e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 0.94929596 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.520939793331892e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0457951 0.7239816 0.4726268 ] [ 1.2371362 3.2714194 2.6792732 ] [ -0.0048198 4.4089734 1.8752479 ] [ 4.2073477 0.8080108 0.0285448 ] [ 3.9773383 2.9251917 0.619023 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0457951e-10 7.239816e-11 4.726268e-11 ] [ 1.2371362e-10 3.2714194e-10 2.6792732e-10 ] [ -4.8198e-13 4.4089734e-10 1.8752479e-10 ] [ 4.2073477e-10 8.080108000000001e-11 2.85448e-12 ] [ 3.9773383e-10 2.9251917e-10 6.19023e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0085089 0.0108274 -0.00234 ] [ 0.0011961 -0.0010854 -0.001062 ] [ -0.0008062 -0.0006087 0.0018653 ] [ -0.00227 0.0035192 0.0067141 ] [ -0.0066289 -0.0126524 -0.0051774 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.363276064872512e-11 1.734740714404992e-11 -3.749093292672e-12 ] [ 1.91636345613888e-12 -1.73900250421632e-12 -1.7015115712896e-12 ] [ -1.29167479168896e-12 -9.7524490908096e-13 2.98854005077824e-12 ] [ -3.636940929216e-12 5.63837996391936e-12 1.075717404971328e-11 ] [ -1.062066860162112e-11 -2.027137947700992e-11 -8.295109236529922e-12 ] ] } "relaxed-potential-energy" { "source-value" -19.124735 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.064120329599549e-18 } }