{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.982478 1.406412 2.920232 ] [ 1.664708 2.759694 5.087468 ] [ 1.282886 3.129979 1.519732 ] [ 2.3658 4.253432 3.372825 ] [ 3.481612 3.001234 2.026348 ] [ 4.008994 2.747584 4.108071 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.982478e-10 1.406412e-10 2.920232e-10 ] [ 1.664708e-10 2.759694e-10 5.087468e-10 ] [ 1.282886e-10 3.129979e-10 1.519732e-10 ] [ 2.3658e-10 4.253432e-10 3.372825e-10 ] [ 3.481612e-10 3.001234e-10 2.026348e-10 ] [ 4.008994e-10 2.747584e-10 4.108071e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.3577121 -16.23772 0.27382 ] [ -3.2668989 -1.1765781 4.2185701 ] [ -8.4960109 1.3127915 -6.5386827 ] [ -4.8534993 19.1469914 5.1442378 ] [ 11.8574811 -0.5957868 -11.9452114 ] [ 11.1166401 -2.449698 8.8472663 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.018617768839727e-08 -2.601569535909658e-08 4.38708002307456e-10 ] [ -5.234149040097237e-09 -1.885085924365285e-09 6.758894387425918e-09 ] [ -1.361211003404197e-08 2.103323849284963e-09 -1.047612455276942e-08 ] [ -7.776163107529167e-09 3.067686197973866e-08 8.241977534995626e-09 ] [ 1.899777899999786e-08 -9.545556819412453e-10 -1.913833843559364e-08 ] [ 1.781082087006778e-08 -3.924848863620518e-09 1.417488322385172e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.97582 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.369965852509057e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.4320359 1.322544 3.0906027 ] [ 2.0603076 2.7908552 4.9070095 ] [ 1.6727298 3.2201629 1.6103591 ] [ 1.3340992 4.6331873 3.5332468 ] [ 4.006261 2.8179542 1.7781314 ] [ 4.2810445 2.5136315 4.1153265 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4320359e-10 1.322544e-10 3.0906027e-10 ] [ 2.0603076e-10 2.7908552e-10 4.907009500000001e-10 ] [ 1.6727298e-10 3.2201629e-10 1.6103591e-10 ] [ 1.3340992e-10 4.6331873e-10 3.5332468e-10 ] [ 4.006261e-10 2.8179542e-10 1.7781314e-10 ] [ 4.2810445e-10 2.5136315e-10 4.1153265e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.53e-05 5.09e-05 5e-06 ] [ 1.15e-05 1e-07 -3.9e-06 ] [ -2.44e-05 1.15e-05 1.27e-05 ] [ 1.36e-05 -5.42e-05 -2.84e-05 ] [ -4.8e-06 5.1e-06 -9.2e-06 ] [ -2.12e-05 -1.34e-05 2.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.053506850624e-14 8.155078999872e-14 8.010883104e-15 ] [ 1.84250311392e-14 1.6021766208e-16 -6.24848882112e-15 ] [ -3.909310954752e-14 1.84250311392e-14 2.034764308416e-14 ] [ 2.178960204288e-14 -8.683797284736e-14 -4.550181603071999e-14 ] [ -7.69044777984e-15 8.17110076608e-15 -1.474002491136e-14 ] [ -3.396614436096001e-14 -2.146916671872e-14 3.829202123712e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.112917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.421356228949088e-18 } }