{ "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" [ [ 1.26846 0.3454837 2.901552 ] [ 0.267977 2.35609 2.023372 ] [ 2.685563 0.3914351 1.602855 ] [ 2.683655 1.904541 0.876934 ] [ 1.547568 2.030572 0.3165864 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.26846e-10 3.454837e-11 2.901552e-10 ] [ 2.67977e-11 2.35609e-10 2.023372e-10 ] [ 2.685563e-10 3.914351e-11 1.602855e-10 ] [ 2.683655e-10 1.904541e-10 8.769340000000001e-11 ] [ 1.547568e-10 2.030572e-10 3.165864e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.7701301 -6.5886026 13.1558923 ] [ -11.2882662 5.526325 5.8315553 ] [ 11.525091 -24.2521766 5.6103688 ] [ 69.4586048 12.8555664 16.849506 ] [ -61.9252995 12.4588878 -41.4473224 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.244912078679437e-08 -1.055610504946209e-08 2.107806306882274e-08 ] [ -1.808579619500686e-08 8.85414871394256e-09 9.34318156456233e-09 ] [ 1.846523135279249e-08 -3.885627035203283e-08 8.988801725425752e-09 ] [ 1.112849527239467e-07 2.059688793322202e-08 2.699588458522933e-08 ] [ -9.921526709493794e-08 1.996133875433034e-08 -6.640593094404014e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 24.220696 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.880583287070408e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0324731 0.3346751 3.1130916 ] [ -0.172815 2.0218493 1.9791832 ] [ 3.1473318 0.127515 2.0789297 ] [ 3.2490954 1.6866565 0.3058674 ] [ 1.1971377 2.8574258 0.2442275 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0324731e-10 3.346751e-11 3.1130916e-10 ] [ -1.72815e-11 2.0218493e-10 1.9791832e-10 ] [ 3.1473318e-10 1.27515e-11 2.0789297e-10 ] [ 3.2490954e-10 1.6866565e-10 3.058674e-11 ] [ 1.1971377e-10 2.8574258e-10 2.442275e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.6e-06 -8.7e-06 5.6e-06 ] [ 4.2e-06 3.4e-06 -5.9e-06 ] [ -1e-05 3.8e-06 1.5e-06 ] [ -3e-07 1.6e-06 -1.1e-06 ] [ -5e-07 -1e-07 -1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.057436569728e-14 -1.393893660096e-14 8.972189076479999e-15 ] [ 6.72914180736e-15 5.44740051072e-15 -9.45284206272e-15 ] [ -1.6021766208e-14 6.08827115904e-15 2.4032649312e-15 ] [ -4.8065298624e-16 2.56348259328e-15 -1.76239428288e-15 ] [ -8.010883104e-16 -1.6021766208e-16 -1.6021766208e-16 ] ] } "relaxed-potential-energy" { "source-value" -7.0960126 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.136906548862222e-18 } }