{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.1356937 -5.6472662 -2.5284907 ] [ -6.625532 3.9022845 -1.2336859 ] [ -4.7555098 -3.9106929 1.9155296 ] [ 2.9412874 -2.366329 0.8049738 ] [ 3.4910332 -2.6885246 0.8004756 ] [ 5.3435594 4.951748 -3.0420271 ] [ 2.7408555 5.7587802 3.2832246 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.02393513612985e-09 -9.047917877074055e-09 -4.051088685450226e-09 ] [ -1.061527247076227e-08 6.252148993610218e-09 -1.976582706390607e-09 ] [ -7.619166621545283e-09 -6.265620735508553e-09 3.069016741570376e-09 ] [ 4.712461907333618e-09 -3.791277000921043e-09 1.289710202716535e-09 ] [ 5.593251775476611e-09 -4.307491258565672e-09 1.282503291840852e-09 ] [ 8.561325942536077e-09 7.93357487769316e-09 -4.873864699460024e-09 ] [ 4.391334603091095e-09 9.22658300076595e-09 5.260305694955432e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.532443 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.863950830508615e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.1339089 2.5175254 0.7476369 ] [ 1.8978047 4.839015 0.2748191 ] [ 2.0618044 2.3073351 3.1181289 ] [ 4.5436949 2.8221375 0.8798686 ] [ 4.3429513 2.9645565 3.2999438 ] [ 4.1964073 5.2267572 0.759281 ] [ 4.3700235 5.3392973 3.1311604 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1339089e-10 2.5175254e-10 7.476369e-11 ] [ 1.8978047e-10 4.839015e-10 2.748191e-11 ] [ 2.0618044e-10 2.3073351e-10 3.1181289e-10 ] [ 4.543694900000001e-10 2.8221375e-10 8.798686000000001e-11 ] [ 4.3429513e-10 2.9645565e-10 3.2999438e-10 ] [ 4.1964073e-10 5.2267572e-10 7.59281e-11 ] [ 4.370023500000001e-10 5.339297300000001e-10 3.1311604e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.2e-06 8.1e-06 1.5e-06 ] [ 1.14e-05 -2.6e-06 -8.7e-06 ] [ 1.69e-05 -6.4e-06 5.5e-06 ] [ -1.66e-05 -3.2e-06 -4e-06 ] [ -6.5e-06 -3.2e-06 -6.6e-06 ] [ 1.1e-06 -5.6e-06 6.2e-06 ] [ -5.1e-06 1.29e-05 6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.92261194496e-15 1.297763062848e-14 2.4032649312e-15 ] [ 1.826481347712e-14 -4.16565921408e-15 -1.393893660096e-14 ] [ 2.707678489152e-14 -1.025393037312e-14 8.8119714144e-15 ] [ -2.659613190528e-14 -5.126965186560001e-15 -6.4087064832e-15 ] [ -1.04141480352e-14 -5.126965186560001e-15 -1.057436569728e-14 ] [ 1.76239428288e-15 -8.972189076479999e-15 9.93349504896e-15 ] [ -8.17110076608e-15 2.066807840832e-14 9.6130597248e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.040115 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.929039076474339e-18 } }