{ "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" [ [ 2.561149 2.354583 1.277193 ] [ 2.183709 4.435975 3.101892 ] [ 4.282438 5.412611 2.58259 ] [ 3.622423 4.256941 0.4406492 ] [ 4.442586 3.119258 2.322412 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.561149e-10 2.354583e-10 1.277193e-10 ] [ 2.183709e-10 4.435975e-10 3.101892e-10 ] [ 4.282438e-10 5.412611e-10 2.58259e-10 ] [ 3.622423e-10 4.256941000000001e-10 4.406492e-11 ] [ 4.442586e-10 3.119258e-10 2.322412e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4008964 0.1935696 0.4057228 ] [ 0.175157 -0.4860171 -0.439593 ] [ -0.7212332 0.535247 -0.0993836 ] [ -0.1730224 1.4594287 -1.8205556 ] [ 2.1199951 -1.7022282 1.9538094 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.244483460242885e-09 3.101326876176077e-10 6.500395846855143e-10 ] [ 2.806324503694656e-10 -7.786852349290157e-10 -7.043056272673344e-10 ] [ -1.155542971184771e-09 8.575602297533377e-10 -1.592300804109389e-10 ] [ -2.772124441547059e-10 2.338262542864537e-09 -2.916851619186516e-09 ] [ 3.396606585430559e-09 -2.727270225306467e-09 3.130347742179275e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.510682 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.004432221066338e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6450586 2.6537882 1.4725952 ] [ 2.0252732 4.3739262 3.0021912 ] [ 4.1918625 5.1779614 2.4172969 ] [ 3.4919244 4.5093963 0.2388162 ] [ 4.7381863 2.8642959 2.5938368 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6450586e-10 2.6537882e-10 1.4725952e-10 ] [ 2.0252732e-10 4.3739262e-10 3.0021912e-10 ] [ 4.1918625e-10 5.1779614e-10 2.4172969e-10 ] [ 3.4919244e-10 4.5093963e-10 2.388162e-11 ] [ 4.7381863e-10 2.8642959e-10 2.5938368e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.06e-05 2e-05 1.01e-05 ] [ 1.75e-05 9.2e-06 -1.83e-05 ] [ -2.09e-05 -3.95e-05 2e-07 ] [ -7.3e-06 -5.6e-06 1.87e-05 ] [ -9.9e-06 1.59e-05 -1.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.300483838848e-14 3.2043532416e-14 1.618198387008e-14 ] [ 2.8038090864e-14 1.474002491136e-14 -2.931983216064e-14 ] [ -3.348549137472e-14 -6.32859765216e-14 3.2043532416e-16 ] [ -1.169588933184e-14 -8.972189076479999e-15 2.996070280896e-14 ] [ -1.586154854592e-14 2.547460827072e-14 -1.730350750464e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.103084 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.259563146597855e-18 } }