{ "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" [ [ 1.08267 0.385996 1.67532 ] [ 0.7413004 2.189146 0.0242846 ] [ 0.0452684 1.636125 2.5153 ] [ 2.351375 1.598321 0.2166547 ] [ 2.147702 1.718144 2.949578 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08267e-10 3.85996e-11 1.67532e-10 ] [ 7.413004e-11 2.189146e-10 2.42846e-12 ] [ 4.52684e-12 1.636125e-10 2.5153e-10 ] [ 2.351375e-10 1.598321e-10 2.166547e-11 ] [ 2.147702e-10 1.718144e-10 2.949578e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 16.2581501 -38.423941 -21.1514806 ] [ -34.811019 16.9524503 -11.860841 ] [ -35.8045753 25.7878035 21.0049643 ] [ 37.2621249 -12.0102135 -1.0634329 ] [ 17.0953193 7.6939007 13.0707902 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.604842798767719e-08 -6.156193994919858e-08 -3.388840771262476e-08 ] [ -5.57734007880246e-08 2.716081953593394e-08 -1.900316215322609e-08 ] [ -5.736525346333315e-08 4.131661586948441e-08 3.365366272219864e-08 ] [ 5.970050535610954e-08 -1.924248328051654e-08 -1.703807330169544e-09 ] [ 2.738972090757102e-08 1.232698782429676e-08 2.094171447382176e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 15.495219 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.482607761597596e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0000795 -0.4006529 1.4101527 ] [ 0.476717 2.6839959 0.1766337 ] [ -0.1000431 1.6092712 2.3184525 ] [ 2.4992766 1.301149 0.4450853 ] [ 2.4922859 2.3339689 3.0308132 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0000795e-10 -4.006529e-11 1.4101527e-10 ] [ 4.76717e-11 2.6839959e-10 1.766337e-11 ] [ -1.000431e-11 1.6092712e-10 2.3184525e-10 ] [ 2.4992766e-10 1.301149e-10 4.450853e-11 ] [ 2.4922859e-10 2.3339689e-10 3.0308132e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.1e-06 1e-06 -3.6e-06 ] [ 4.7e-06 -4e-06 -3.2e-06 ] [ -4.1e-06 1.1e-06 7.1e-06 ] [ -2.1e-06 1e-06 -3e-06 ] [ 4e-07 1e-06 2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.76239428288e-15 1.6021766208e-15 -5.76783583488e-15 ] [ 7.53023011776e-15 -6.4087064832e-15 -5.126965186560001e-15 ] [ -6.568924145279999e-15 1.76239428288e-15 1.137545400768e-14 ] [ -3.36457090368e-15 1.6021766208e-15 -4.8065298624e-15 ] [ 6.408706483200001e-16 1.6021766208e-15 4.16565921408e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.892431 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.905377491267717e-18 } }