{ "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" [ [ 0.7955699 1.924478 0.0578634 ] [ 0.2789322 2.342777 2.34838 ] [ 2.533834 0.6960937 0.5593318 ] [ 1.694509 0.4311754 2.932881 ] [ 2.816233 2.726519 1.407602 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.955699e-11 1.924478e-10 5.786340000000001e-12 ] [ 2.789322e-11 2.342777e-10 2.34838e-10 ] [ 2.533834e-10 6.960937e-11 5.593318000000001e-11 ] [ 1.694509e-10 4.311754e-11 2.932881e-10 ] [ 2.816233e-10 2.726519e-10 1.407602e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2730101 1.2931514 -0.0603777 ] [ 1.2060276 -0.6320194 -0.1329968 ] [ 1.2211761 -2.3470255 0.7470399 ] [ -0.1950827 1.0046319 -1.1329879 ] [ -0.9591109 0.6812615 0.5793225 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.03958702026227e-09 2.071856940234789e-09 -9.673573935767616e-11 ] [ 1.932269224759534e-09 -1.012606706572044e-09 -2.130843636012134e-10 ] [ 1.956539797299723e-09 -3.760349384521431e-09 1.19688986258477e-09 ] [ -3.125569410625401e-10 1.609597742689883e-09 -1.815246725029289e-09 ] [ -1.536665060734447e-09 1.091501247951139e-09 9.28176965403408e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -4.956061775408902 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.940486307800683e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8544892 2.0813629 0.0155943 ] [ 0.304021 2.2992981 2.2937972 ] [ 2.4640444 0.4524302 0.5602395 ] [ 1.9134491 0.6702384 2.8384235 ] [ 2.5830744 2.6177134 1.5980038 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.544892e-11 2.0813629e-10 1.55943e-12 ] [ 3.04021e-11 2.2992981e-10 2.2937972e-10 ] [ 2.4640444e-10 4.524302e-11 5.602395e-11 ] [ 1.9134491e-10 6.702384e-11 2.838423500000001e-10 ] [ 2.5830744e-10 2.6177134e-10 1.5980038e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.63e-05 1.21e-05 1.79e-05 ] [ 7.6e-06 -1.89e-05 -2.26e-05 ] [ -3.76e-05 -3e-06 -1.5e-06 ] [ 2.62e-05 2.09e-05 2.1e-06 ] [ -3.25e-05 -1.11e-05 4.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.815901133504e-14 1.938633711168e-14 2.867896151232001e-14 ] [ 1.217654231808e-14 -3.028113813312e-14 -3.620919163008e-14 ] [ -6.024184094208e-14 -4.8065298624e-15 -2.4032649312e-15 ] [ 4.197702746496e-14 3.348549137472e-14 3.36457090368e-15 ] [ -5.207074017599999e-14 -1.778416049088e-14 6.568924145279999e-15 ] ] } "relaxed-potential-energy" { "source-value" -5.786807775408899 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.271488126823796e-19 } }