{ "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" [ [ 1.691051 2.220945 1.919277 ] [ 2.666072 2.808957 4.219459 ] [ 1.090931 4.286689 3.184511 ] [ 3.947256 1.730986 2.765408 ] [ 5.245402 2.932614 3.956238 ] [ 3.932067 4.011287 2.276365 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.691051e-10 2.220945e-10 1.919277e-10 ] [ 2.666072e-10 2.808957e-10 4.219459e-10 ] [ 1.090931e-10 4.286689e-10 3.184511e-10 ] [ 3.947256e-10 1.730986e-10 2.765408e-10 ] [ 5.245402000000001e-10 2.932614e-10 3.956238e-10 ] [ 3.932067e-10 4.011287e-10 2.276365e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.4109412 -2.7103134 -5.2108385 ] [ -7.2270079 0.0198338 12.7850472 ] [ -1.7975397 2.1607141 -0.2205012 ] [ 2.0508453 -12.4967012 -5.7030922 ] [ 9.6883427 2.310521 5.7133318 ] [ 2.6963007 10.7159457 -7.3639471 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.669283487163498e-09 -4.342400764520959e-09 -8.348683619464542e-09 ] [ -1.157894309571691e-08 3.177725066162304e-11 2.04839037196645e-08 ] [ -2.879976082299846e-09 3.461845615252913e-09 -3.53281867498345e-10 ] [ 3.285816392537563e-09 -2.002192249976331e-08 -9.137360989106839e-09 ] [ 1.552243616823835e-08 3.701862728067437e-09 9.15376663683318e-09 ] [ 4.319949944186675e-09 1.716883767030229e-08 -1.179834388042796e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.2615326 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.429904521297038e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.8577376 2.1503739 1.6556043 ] [ 2.7122838 3.0456813 4.9961293 ] [ 1.6384803 4.0294782 3.0770445 ] [ 3.7846192 1.1259244 2.580287 ] [ 4.7531333 2.9630466 3.7145616 ] [ 3.8265248 4.6769735 2.2976313 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8577376e-10 2.1503739e-10 1.6556043e-10 ] [ 2.7122838e-10 3.0456813e-10 4.9961293e-10 ] [ 1.6384803e-10 4.0294782e-10 3.0770445e-10 ] [ 3.7846192e-10 1.1259244e-10 2.580287e-10 ] [ 4.7531333e-10 2.9630466e-10 3.7145616e-10 ] [ 3.8265248e-10 4.6769735e-10 2.2976313e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.62e-05 3.39e-05 -4.71e-05 ] [ -6.2e-06 4.1e-06 3.24e-05 ] [ -6.27e-05 -1e-05 -1.59e-05 ] [ 2.4e-06 -2.24e-05 1.92e-05 ] [ 8.77e-05 3.43e-05 -8.9e-06 ] [ 1.5e-05 -3.99e-05 2.04e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.799879367296e-14 5.431378744512e-14 -7.546251883968001e-14 ] [ -9.93349504896e-15 6.568924145279999e-15 5.191052251392001e-14 ] [ -1.0045647412416e-13 -1.6021766208e-14 -2.547460827072e-14 ] [ 3.84522388992e-15 -3.588875630592e-14 3.076179111936e-14 ] [ 1.4051088964416e-13 5.495465809344e-14 -1.425937192512e-14 ] [ 2.4032649312e-14 -6.392684716992e-14 3.268440306432e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.125717 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.263189352943711e-18 } }