{ "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" [ [ 2.079295 2.566064 0.7389026 ] [ 2.731821 0.8253972 1.952601 ] [ 1.402373 2.394344 3.393524 ] [ 2.931703 3.951911 3.265612 ] [ 3.743563 1.858686 3.844421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.079295e-10 2.566064e-10 7.389026e-11 ] [ 2.731821e-10 8.253972000000001e-11 1.952601e-10 ] [ 1.402373e-10 2.394344e-10 3.393524e-10 ] [ 2.931703e-10 3.951911e-10 3.265612e-10 ] [ 3.743563e-10 1.858686e-10 3.844421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8102877 -2.4343066 1.5064058 ] [ 2.4987736 5.8471751 4.6228002 ] [ -1.5289735 -0.6068564 -0.0740349 ] [ 2.6656109 -3.9362322 1.3379757 ] [ -4.4456987 1.1302201 -7.3931469 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.298224009061804e-09 -3.900189122379138e-09 2.41352815419752e-09 ] [ 4.00347664259225e-09 9.368207242943904e-09 7.406542403069565e-09 ] [ -2.449685595522749e-09 -9.72291136262853e-10 -1.186169859032659e-10 ] [ 4.270779464129647e-09 -6.30653920488015e-09 2.143673385738515e-09 ] [ -7.122794520260954e-09 1.810812220578238e-09 -1.184512711731999e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.1497096 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.145509756662932e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1839173 1.0107585 -0.2940298 ] [ 3.6285068 1.0299487 1.3667476 ] [ 0.6119848 4.2883945 4.2915212 ] [ 2.5788657 3.314582 4.4814207 ] [ 3.8854803 1.9527185 3.349401 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1839173e-10 1.0107585e-10 -2.940298e-11 ] [ 3.6285068e-10 1.0299487e-10 1.3667476e-10 ] [ 6.119848000000001e-11 4.2883945e-10 4.2915212e-10 ] [ 2.5788657e-10 3.314582e-10 4.4814207e-10 ] [ 3.8854803e-10 1.9527185e-10 3.349401e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.1373446 -0.1040459 -0.0363971 ] [ -0.0565767 0.0240817 -0.0358896 ] [ 0.3236972 -0.0779111 0.1761772 ] [ -0.4121974 0.2360028 0.033925 ] [ 0.0077323 -0.0781275 -0.1378155 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.200503071131277e-10 -1.666999084700947e-10 -5.831458268491969e-11 ] [ -9.064586602201537e-11 3.858313672911936e-11 -5.750147804986368e-11 ] [ 5.186200860584218e-10 -1.248273429208109e-10 2.822669909580058e-10 ] [ -6.604130374345459e-10 3.781181686033383e-10 5.435384186064e-11 ] [ 1.238851028501184e-11 -1.25174053941552e-10 -2.208047720838624e-10 ] ] } "relaxed-potential-energy" { "source-value" -10.906095 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.747349043322378e-18 } }