{ "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" [ [ 0.9398812 2.717033 1.670565 ] [ 2.278193 2.647912 4.038221 ] [ 1.856764 5.001969 2.684043 ] [ 3.35912 1.891848 2.112837 ] [ 5.060666 2.631323 3.812603 ] [ 4.070835 4.158298 1.920429 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.398812e-11 2.717033e-10 1.670565e-10 ] [ 2.278193e-10 2.647912e-10 4.038221e-10 ] [ 1.856764e-10 5.001969e-10 2.684043e-10 ] [ 3.35912e-10 1.891848e-10 2.112837e-10 ] [ 5.060666e-10 2.631323e-10 3.812603e-10 ] [ 4.070835e-10 4.158298e-10 1.920429e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6960209 0.7664532 1.66777 ] [ 1.4919488 1.4938484 -0.4630912 ] [ 0.5160416 -2.3226801 -0.1472693 ] [ 0.1170272 -0.6800143 -1.2859769 ] [ -3.7234601 0.6152966 -0.7503887 ] [ -0.0975783 0.1270961 0.9789561 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.71732505675565e-09 1.227993408094529e-09 2.67206212488618e-09 ] [ 2.390365506484339e-09 2.393409001218285e-09 -7.419539000510206e-10 ] [ 8.267897936919742e-10 -3.721343784476783e-09 -2.359514313655362e-10 ] [ 1.874982453824448e-10 -1.089503022245866e-09 -2.060362141043754e-09 ] [ -5.965640769851302e-09 9.858138354996443e-10 -1.202255241557636e-09 ] [ -1.563376722454422e-10 2.036304016925274e-10 1.568460589131767e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.797439 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.691246427684033e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0121355 2.6394064 1.958981 ] [ 2.2893805 2.7786891 4.0524479 ] [ 1.9917063 4.7429527 2.5918735 ] [ 3.3400344 1.9557087 1.8580729 ] [ 4.6993558 2.6822226 3.7706095 ] [ 4.2328467 4.2494036 2.0067131 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0121355e-10 2.6394064e-10 1.958981e-10 ] [ 2.2893805e-10 2.7786891e-10 4.0524479e-10 ] [ 1.9917063e-10 4.7429527e-10 2.5918735e-10 ] [ 3.3400344e-10 1.9557087e-10 1.8580729e-10 ] [ 4.6993558e-10 2.6822226e-10 3.7706095e-10 ] [ 4.2328467e-10 4.2494036e-10 2.0067131e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.12e-05 -4.7e-06 -1.2e-06 ] [ -2.34e-05 -5.6e-06 1.94e-05 ] [ 1.38e-05 8.3e-06 -1.26e-05 ] [ 1.28e-05 2.36e-05 1.33e-05 ] [ 8e-06 -1.08e-05 -2.2e-05 ] [ -2.24e-05 -1.08e-05 3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.79443783008e-14 -7.530230179799999e-15 -1.9226119608e-15 ] [ -3.749093323559999e-14 -8.972189150399999e-15 3.10822266996e-14 ] [ 2.21100375492e-14 1.32980660622e-14 -2.01874255884e-14 ] [ 2.05078609152e-14 3.78113685624e-14 2.13089492322e-14 ] [ 1.2817413072e-14 -1.73035076472e-14 -3.5247885948e-14 ] [ -3.588875660159999e-14 -1.73035076472e-14 4.806529901999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.237465 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.921964028639281e-18 } }