{ "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" [ [ 2.336271 1.731327 1.289714 ] [ 2.769645 4.287083 1.737277 ] [ 4.480326 1.077167 0.108092 ] [ 5.392167 2.307543 2.197028 ] [ 3.12468 2.46702 3.187134 ] [ 4.416093 3.533887 0.3236582 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.336271e-10 1.731327e-10 1.289714e-10 ] [ 2.769645e-10 4.287083e-10 1.737277e-10 ] [ 4.480326e-10 1.077167e-10 1.08092e-11 ] [ 5.392167e-10 2.307543e-10 2.197028e-10 ] [ 3.12468e-10 2.467020000000001e-10 3.187134e-10 ] [ 4.416093e-10 3.533887e-10 3.236582e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.927235 1.7363989 -3.759207 ] [ -0.6624969 -2.1837552 0.1423874 ] [ -0.9913851 2.5417972 2.2390207 ] [ -2.1373509 -0.0107939 -1.6189518 ] [ 2.2661229 1.1388191 1.9542186 ] [ -0.402125 -3.2224661 1.0425321 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.087770859787488e-09 2.782017721962837e-09 -6.022913568147706e-09 ] [ -1.061437044532476e-09 -3.498761526990428e-09 2.281297633764979e-10 ] [ -1.58837402942947e-09 4.072408048654902e-09 3.587306619027251e-09 ] [ -3.424413642425839e-09 -1.729373422725312e-11 -2.593846724162077e-09 ] [ 3.630729130239496e-09 1.824589337340498e-09 3.131003352852507e-09 ] [ -6.442752736392e-10 -5.162959846740555e-09 1.670320557053528e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.869835 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.664151495855357e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3465171 2.0981222 0.9237354 ] [ 2.9029502 4.1260885 1.9115256 ] [ 4.4100135 1.0745474 0.6465445 ] [ 5.3466012 2.5906546 2.1040744 ] [ 3.2636511 2.1676076 3.0666965 ] [ 4.2494488 3.3470067 0.1903268 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3465171e-10 2.0981222e-10 9.237354e-11 ] [ 2.9029502e-10 4.1260885e-10 1.9115256e-10 ] [ 4.4100135e-10 1.0745474e-10 6.465445e-11 ] [ 5.3466012e-10 2.5906546e-10 2.1040744e-10 ] [ 3.2636511e-10 2.1676076e-10 3.0666965e-10 ] [ 4.2494488e-10 3.3470067e-10 1.903268e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.31e-05 4e-07 1.16e-05 ] [ -2.04e-05 -2e-06 -1.4e-06 ] [ -2.3e-06 -1.09e-05 -1.04e-05 ] [ 1.17e-05 -1.42e-05 2.4e-06 ] [ -6.7e-06 1.28e-05 4.2e-06 ] [ 4.6e-06 1.39e-05 -6.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.098851373248e-14 6.408706483200001e-16 1.858524880128e-14 ] [ -3.268440306432e-14 -3.2043532416e-15 -2.24304726912e-15 ] [ -3.68500622784e-15 -1.746372516672e-14 -1.666263685632e-14 ] [ 1.874546646336e-14 -2.275090801536e-14 3.84522388992e-15 ] [ -1.073458335936e-14 2.050786074624e-14 6.72914180736e-15 ] [ 7.370012455680001e-15 2.227025502912e-14 -1.009371271104e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.007871 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.166920287298232e-18 } }