{ "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" [ [ -15.7711217 -6.8016704 1.5835147 ] [ -12.2304338 0.8478756 5.6237913 ] [ 14.3249668 3.4284174 -7.9640437 ] [ 4.639624 -4.614525 3.8170238 ] [ 9.0369647 7.1399024 -3.0602862 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.526812267971036e-08 -1.089747738704943e-08 2.537070251935519e-09 ] [ -1.959531525804383e-08 1.35844647485873e-09 9.010307015352483e-09 ] [ 2.295112708978575e-08 5.492930249879032e-09 -1.275980472829491e-08 ] [ 7.433497163345616e-09 -7.393284132008851e-09 6.115546343781888e-09 ] [ 1.447881368462282e-08 1.143938479432052e-08 -4.90311904299265e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.5384282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.669186983126679e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.1001166 0.869499 0.6082839 ] [ 0.3074757 0.9012125 2.9219707 ] [ 2.1247737 1.5527014 -0.3033859 ] [ 2.4602914 1.6040198 3.4402266 ] [ 3.5834489 2.0066607 1.4468524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.001166e-11 8.69499e-11 6.082839e-11 ] [ 3.074757e-11 9.012125e-11 2.9219707e-10 ] [ 2.1247737e-10 1.5527014e-10 -3.033859e-11 ] [ 2.4602914e-10 1.6040198e-10 3.4402266e-10 ] [ 3.5834489e-10 2.0066607e-10 1.4468524e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.1e-06 -3.4e-06 7e-06 ] [ 7e-07 2e-06 -1.74e-05 ] [ 5.7e-06 1.6e-06 -8.5e-06 ] [ 1.11e-05 1.5e-06 2.23e-05 ] [ -9.4e-06 -1.7e-06 -3.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.29776307354e-14 -5.4474005556e-15 1.1215236438e-14 ] [ 1.1215236438e-15 3.204353268e-15 -2.78778734316e-14 ] [ 9.1324068138e-15 2.5634826144e-15 -1.3618501389e-14 ] [ 1.77841606374e-14 2.403264951e-15 3.572853893819999e-14 ] [ -1.50604603596e-14 -2.7237002778e-15 -5.4474005556e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.435516 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992389316693314e-18 } }