{ "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" [ [ 0.4523459 0.4778673 0.765296 ] [ 0.8876723 1.989638 2.471047 ] [ 2.135329 1.164008 0.2412907 ] [ 2.495776 0.5844002 2.912252 ] [ 2.604983 2.71818 1.724062 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.523459e-11 4.778673e-11 7.65296e-11 ] [ 8.876723e-11 1.989638e-10 2.471047e-10 ] [ 2.135329e-10 1.164008e-10 2.412907e-11 ] [ 2.495776e-10 5.844002e-11 2.912252e-10 ] [ 2.604983e-10 2.71818e-10 1.724062e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.3674476 -5.3225538 -0.5924502 ] [ -10.5544053 2.7977548 6.5097648 ] [ 8.0286077 -0.5582348 -9.4336316 ] [ 4.0641841 -5.5888208 4.6237221 ] [ 7.8290611 8.6718546 -1.107405 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.500830554128907e-08 -8.527671261310198e-09 -9.492098594282843e-10 ] [ -1.691002141810761e-08 4.48249733129098e-09 1.042979296946679e-08 ] [ 1.286324755451486e-08 -8.943907454769639e-10 -1.51143439987601e-08 ] [ 6.51154074764709e-09 -8.954278023600751e-09 7.40801944969628e-09 ] [ 1.254353865723473e-08 1.389384269909694e-08 -1.774258400757024e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.2492545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.001240945732919e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3729927 0.3793991 1.0050149 ] [ 0.5156724 2.1763056 2.6885744 ] [ 2.5397526 1.0889202 0.0640969 ] [ 2.4652598 0.4036383 2.6086053 ] [ 2.6824288 2.8858304 1.7476562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.729927e-11 3.793991e-11 1.0050149e-10 ] [ 5.156724000000001e-11 2.1763056e-10 2.6885744e-10 ] [ 2.5397526e-10 1.0889202e-10 6.40969e-12 ] [ 2.4652598e-10 4.036383e-11 2.6086053e-10 ] [ 2.6824288e-10 2.8858304e-10 1.7476562e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.2e-06 -1.2e-06 -1.2e-06 ] [ -2.57e-05 5.3e-06 1.07e-05 ] [ 5e-07 1.01e-05 2.5e-05 ] [ 7.7e-06 -1.5e-06 -1.49e-05 ] [ 1.43e-05 -1.27e-05 -1.96e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.126965186560001e-15 -1.92261194496e-15 -1.92261194496e-15 ] [ -4.117593915456e-14 8.491536090240001e-15 1.714328984256e-14 ] [ 8.010883104e-16 1.618198387008e-14 4.005441552e-14 ] [ 1.233675998016e-14 -2.4032649312e-15 -2.387243164992e-14 ] [ 2.291112567744e-14 -2.034764308416e-14 -3.140266176767999e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.901027 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.906754722290956e-18 } }