{ "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" [ [ 0.3126518 0.5217928 0.1846885 ] [ 0.8333114 2.588069 2.680495 ] [ 2.642381 0.0430457 2.992394 ] [ 2.45603 2.243401 1.184533 ] [ 2.245972 1.834771 2.762862 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.126518e-11 5.217928e-11 1.846885e-11 ] [ 8.333114000000001e-11 2.588069e-10 2.680495e-10 ] [ 2.642381e-10 4.30457e-12 2.992394e-10 ] [ 2.45603e-10 2.243401e-10 1.184533e-10 ] [ 2.245972e-10 1.834771e-10 2.762862e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6656118 0.9065724 0.5168581 ] [ -20.8816998 9.7102416 1.1333001 ] [ 2.1606925 -9.9117916 1.3775348 ] [ 4.4466001 3.5259989 -21.2522069 ] [ 13.6087954 -4.2310213 18.2245138 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.066427664488605e-09 1.452489104342546e-09 8.280979640911085e-10 ] [ -3.345617122212404e-08 1.555752207383959e-08 1.815746924570302e-09 ] [ 3.461811008237904e-09 -1.588044077176183e-08 2.207054050898404e-09 ] [ 7.124238722266943e-09 5.649273002546517e-09 -3.404978903558444e-08 ] [ 2.180369382713059e-08 -6.778843408966824e-09 2.919888993580697e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 9.7803742245911 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.566988692531479e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5663996 0.5748184 1.0386509 ] [ 0.4973948 2.6286988 2.1864933 ] [ 2.5062082 -0.0254062 2.2292773 ] [ 2.4831257 2.024487 0.9734563 ] [ 2.4372178 2.0284815 3.3770948 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.663996e-11 5.748183999999999e-11 1.0386509e-10 ] [ 4.973948e-11 2.6286988e-10 2.1864933e-10 ] [ 2.5062082e-10 -2.54062e-12 2.2292773e-10 ] [ 2.4831257e-10 2.024487e-10 9.734563e-11 ] [ 2.4372178e-10 2.0284815e-10 3.3770948e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.8e-06 1.93e-05 1.48e-05 ] [ 4.7e-06 -2.25e-05 -3.04e-05 ] [ -9e-06 1.74e-05 -3.93e-05 ] [ -1.95e-05 -3.3e-05 4.1e-06 ] [ 1.4e-05 1.88e-05 5.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.570133088384e-14 3.092200878144e-14 2.371221398784e-14 ] [ 7.53023011776e-15 -3.604897396800001e-14 -4.870616927232e-14 ] [ -1.44195895872e-14 2.787787320192e-14 -6.296554119743999e-14 ] [ -3.12424441056e-14 -5.28718284864e-14 6.568924145279999e-15 ] [ 2.24304726912e-14 3.012092047104e-14 8.139057233664001e-14 ] ] } "relaxed-potential-energy" { "source-value" -5.786807775408899 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.271488126823796e-19 } }