{ "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" [ [ 0.7440121 1.644003 0.1699327 ] [ 1.624629 1.787277 2.54743 ] [ 2.897237 1.241702 0.9240311 ] [ 2.052276 3.648887 1.374272 ] [ 4.460812 2.919724 2.096642 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.440121e-11 1.644003e-10 1.699327e-11 ] [ 1.624629e-10 1.787277e-10 2.54743e-10 ] [ 2.897237e-10 1.241702e-10 9.240311e-11 ] [ 2.052276e-10 3.648887e-10 1.374272e-10 ] [ 4.460812e-10 2.919724e-10 2.096642e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.032228 -1.077209 -4.3300607 ] [ -2.6712347 -1.3779623 7.1312509 ] [ 6.0859496 -5.4401853 -2.7545586 ] [ 0.3598961 7.5560281 0.4181186 ] [ 0.2576171 0.3393284 -0.4647502 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.460341431335143e-09 -1.725879075515347e-09 -6.937522020184882e-09 ] [ -4.279789785009702e-09 -2.207738981403796e-09 1.142552346903896e-08 ] [ 9.750766164487112e-09 -8.716137700479834e-09 -4.413289389543579e-09 ] [ 5.766171173370989e-10 1.210609156792784e-08 6.698998456416269e-10 ] [ 4.127480947382957e-10 5.436640292534707e-10 -7.446119049521242e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -4.4344809 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.104821623364142e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.2221003 0.8549652 0.7807992 ] [ 0.6119182 2.528594 2.1427179 ] [ 3.3990051 1.1069094 0.3056277 ] [ 2.4117148 3.8148852 2.509276 ] [ 4.1342277 2.9362392 1.373887 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2221003e-10 8.549652e-11 7.807992000000001e-11 ] [ 6.119182e-11 2.528594e-10 2.1427179e-10 ] [ 3.3990051e-10 1.1069094e-10 3.056277e-11 ] [ 2.4117148e-10 3.8148852e-10 2.509276e-10 ] [ 4.1342277e-10 2.9362392e-10 1.373887e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6e-07 1.2e-06 0.0 ] [ 4e-07 -1.1e-06 -2e-07 ] [ -1e-06 -3e-07 4e-07 ] [ -6e-07 5e-07 0.0 ] [ 6e-07 -3e-07 -3e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.6130597248e-16 1.92261194496e-15 0.0 ] [ 6.408706483200001e-16 -1.76239428288e-15 -3.2043532416e-16 ] [ -1.6021766208e-15 -4.8065298624e-16 6.408706483200001e-16 ] [ -9.6130597248e-16 8.010883104e-16 0.0 ] [ 9.6130597248e-16 -4.8065298624e-16 -4.8065298624e-16 ] ] } "relaxed-potential-energy" { "source-value" -8.9680601 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.436841622614931e-18 } }