{ "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" [ [ 0.2761159 0.8907827 -0.6774233 ] [ 1.4841063 0.1711676 -0.2713232 ] [ -0.6525325 0.8012506 1.1199763 ] [ 0.4567535 -1.8595782 0.8017078 ] [ -0.0558797 0.1999584 0.2816415 ] [ -0.2937283 0.4656539 -1.998885 ] [ -1.2148354 -0.669235 0.7443059 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.423864396111507e-10 1.4271912161531e-09 -1.085351773645185e-09 ] [ 2.377800416641991e-09 2.742407269584461e-10 -4.347076877206425e-10 ] [ -1.045472315812176e-09 1.283744978721972e-09 1.794399843710087e-09 ] [ 7.317997791685728e-10 -2.979372716589347e-09 1.284477493873002e-09 ] [ -8.952914891731776e-11 3.203686736125748e-10 4.512394267470432e-10 ] [ -4.706046151273286e-10 7.460597919643412e-10 -3.202566814667808e-09 ] [ -1.946380876000216e-09 -1.072232670821088e-09 1.192509511703503e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.140492085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.304250610131162e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0118784 1.4270607 3.3323474 ] [ 2.2283904 5.0567744 2.6040531 ] [ 2.6530978 2.922223 1.5333243 ] [ 0.7767745 3.3314251 3.0149284 ] [ 4.2268324 1.9754542 3.117674 ] [ 4.3606436 4.2187407 2.6675645 ] [ 2.7887099 3.481559 4.3613032 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0118784e-10 1.4270607e-10 3.3323474e-10 ] [ 2.2283904e-10 5.0567744e-10 2.6040531e-10 ] [ 2.6530978e-10 2.922223e-10 1.5333243e-10 ] [ 7.767745000000001e-11 3.3314251e-10 3.0149284e-10 ] [ 4.2268324e-10 1.9754542e-10 3.117674e-10 ] [ 4.360643600000001e-10 4.2187407e-10 2.6675645e-10 ] [ 2.7887099e-10 3.481559e-10 4.3613032e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5e-06 8.4e-06 4.4e-06 ] [ 1e-06 4.6e-06 1.8e-05 ] [ 3e-07 -1.18e-05 3.3e-06 ] [ 1.8e-06 -6.3e-06 -1.05e-05 ] [ -7.8e-06 -1.1e-06 -5.5e-06 ] [ 5e-07 -3e-07 -4e-07 ] [ -8e-07 6.5e-06 -9.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.010883104e-15 1.345828361472e-14 7.04957713152e-15 ] [ 1.6021766208e-15 7.370012455680001e-15 2.88391791744e-14 ] [ 4.8065298624e-16 -1.890568412544e-14 5.28718284864e-15 ] [ 2.88391791744e-15 -1.009371271104e-14 -1.68228545184e-14 ] [ -1.249697764224e-14 -1.76239428288e-15 -8.8119714144e-15 ] [ 8.010883104e-16 -4.8065298624e-16 -6.408706483200001e-16 ] [ -1.28174129664e-15 1.04141480352e-14 -1.490024257344e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.821491085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.573576339869981e-18 } }