{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.891577 1.147444 4.176951 ] [ 1.947528 5.315412 2.001915 ] [ 3.037668 3.274696 0.9821769 ] [ 1.344392 3.383525 2.90788 ] [ 3.679276 1.837825 2.704146 ] [ 4.016034 4.351153 3.141989 ] [ 3.129852 3.103182 4.716137 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.891577e-10 1.147444e-10 4.176951e-10 ] [ 1.947528e-10 5.315412000000001e-10 2.001915e-10 ] [ 3.037668e-10 3.274696e-10 9.821769000000001e-11 ] [ 1.344392e-10 3.383525e-10 2.90788e-10 ] [ 3.679276000000001e-10 1.837825e-10 2.704146e-10 ] [ 4.016034e-10 4.351153e-10 3.141989e-10 ] [ 3.129852e-10 3.103182e-10 4.716137e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2519892 1.061491 -0.7587722 ] [ 1.7719621 0.1586823 -0.5610922 ] [ -0.8651566 1.3235652 1.7405533 ] [ 0.534834 -2.4480616 0.8986418 ] [ -0.2150727 0.4585796 0.7561306 ] [ -0.3343724 0.3213139 -2.2302486 ] [ -1.1441835 -0.8755703 0.1547872 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.037312082603528e-10 1.700696077401294e-09 -1.215687089368775e-09 ] [ 2.838996272953571e-09 2.542370732893782e-10 -8.989688123596548e-10 ] [ -1.386133689270884e-09 2.120585237015536e-09 2.788673827491592e-09 ] [ 8.568985378687559e-10 -3.922227094112654e-09 1.439782894295701e-09 ] [ -3.445844545512917e-10 7.347255199490664e-10 1.2114547795724e-09 ] [ -5.357236463345015e-10 5.148016227594125e-10 -3.573252194931212e-09 ] [ -1.833184068708339e-09 -1.40281827608437e-09 2.479964350822848e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -27.446003 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.39733447032939e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9580246 1.3210902 3.9086993 ] [ 2.2111619 5.0705908 2.640202 ] [ 2.7920124 3.2051456 1.2503899 ] [ 0.9810736 3.1025126 2.7843635 ] [ 3.9531252 1.9595449 2.9067134 ] [ 4.3702501 4.2402652 2.7290847 ] [ 2.7806794 3.5140877 4.4117421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9580246e-10 1.3210902e-10 3.9086993e-10 ] [ 2.2111619e-10 5.0705908e-10 2.640202e-10 ] [ 2.7920124e-10 3.2051456e-10 1.2503899e-10 ] [ 9.810736e-11 3.1025126e-10 2.7843635e-10 ] [ 3.9531252e-10 1.9595449e-10 2.9067134e-10 ] [ 4.3702501e-10 4.2402652e-10 2.7290847e-10 ] [ 2.7806794e-10 3.5140877e-10 4.4117421e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.07e-05 4.56e-05 3.56e-05 ] [ -5.29e-05 2.74e-05 1.49e-05 ] [ 2.7e-06 -6.1e-06 -0.000116 ] [ 5.2e-06 -2.77e-05 -6.9e-06 ] [ -2.43e-05 -9.9e-06 -1.05e-05 ] [ 6.58e-05 -5.2e-06 2.27e-05 ] [ -7.2e-06 -2.41e-05 6.02e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.71432899838e-14 7.30592545104e-14 5.703748817039999e-14 ] [ -8.475514393859999e-14 4.389963977159999e-14 2.38724318466e-14 ] [ 4.3258769118e-15 -9.773277467399999e-15 -1.85852489544e-13 ] [ 8.331318496799998e-15 -4.438029276179999e-14 -1.10550187746e-14 ] [ -3.893289220619999e-14 -1.58615486766e-14 -1.6822854657e-14 ] [ 1.054232225172e-13 -8.331318496799998e-15 3.636940959179999e-14 ] [ -1.15356717648e-14 -3.86124568794e-14 9.645103336679999e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.380528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.867497209018275e-18 } }