{ "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" [ [ 0.5231689 0.1640524 1.493785 ] [ 2.625554 0.0718253 0.0473088 ] [ 2.391634 1.372958 2.83206 ] [ 1.806242 1.946446 0.9821647 ] [ 1.54049 2.8226 2.60214 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.231689000000001e-11 1.640524e-11 1.493785e-10 ] [ 2.625554e-10 7.18253e-12 4.73088e-12 ] [ 2.391634e-10 1.372958e-10 2.83206e-10 ] [ 1.806242e-10 1.946446e-10 9.821647e-11 ] [ 1.54049e-10 2.8226e-10 2.60214e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.4856254 -5.5692509 -1.2199068 ] [ 1.7529763 -2.0087154 -3.0889932 ] [ 30.8620514 -39.9847769 29.8266568 ] [ -0.2623005 -5.8029213 -49.0890813 ] [ -25.8671018 53.3656646 23.5713245 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.039111738714665e-08 -8.922923587349358e-09 -1.954506154514941e-09 ] [ 2.808577644676487e-09 -3.21831685172092e-09 -4.949112686850179e-09 ] [ 4.944645722300791e-08 -6.406267473708389e-08 4.778757220158534e-08 ] [ -4.202517287241504e-10 -9.297304839202344e-09 -7.864937839541046e-08 ] [ -4.14436657518136e-08 8.550122017557419e-08 3.776542503519025e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 15.604472 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.500112021832822e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.1379127 -0.0181509 1.8786684 ] [ 3.5155117 0.5008214 0.2485682 ] [ 2.2967988 0.7262072 2.5806541 ] [ 1.2580277 1.8249399 0.6023327 ] [ 1.9546633 3.3440642 2.647235 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.379127e-11 -1.81509e-12 1.8786684e-10 ] [ 3.5155117e-10 5.008214e-11 2.485682e-11 ] [ 2.2967988e-10 7.262072e-11 2.5806541e-10 ] [ 1.2580277e-10 1.8249399e-10 6.023327000000001e-11 ] [ 1.9546633e-10 3.3440642e-10 2.647235e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.3e-06 3.4e-06 2.1e-06 ] [ -1.25e-05 -3.02e-05 -3.9e-06 ] [ 2.46e-05 -5.3e-06 2e-06 ] [ 7.2e-06 1.67e-05 -2.44e-05 ] [ -2.76e-05 1.53e-05 2.42e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.329806595264e-14 5.44740051072e-15 3.36457090368e-15 ] [ -2.002720776e-14 -4.838573394816e-14 -6.24848882112e-15 ] [ 3.941354487168e-14 -8.491536090240001e-15 3.2043532416e-15 ] [ 1.153567166976e-14 2.675634956736e-14 -3.909310954752e-14 ] [ -4.422007473408001e-14 2.451330229824e-14 3.877267422336e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.793383 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.049725914354017e-18 } }