{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.3469929 -5.7953577 -19.9272585 ] [ 0.4337889 -5.4918956 -1.0239314 ] [ -5.4550006 6.6720376 16.9573723 ] [ -5.9327735 4.8165349 -5.8397511 ] [ 13.6825196 -14.751024 17.8791269 ] [ 5.2881142 18.2535353 -14.8113372 ] [ -3.6696557 -3.7038305 6.765779 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.964650395163592e-09 -9.28518661611326e-09 -3.192698768533808e-08 ] [ 6.950064339425492e-10 -8.798986734194388e-09 -1.640518950383013e-09 ] [ -8.739874427769972e-09 1.068978265581854e-08 2.716870544926152e-08 ] [ -9.50535099820179e-09 7.716939610047266e-09 -9.356312683711083e-09 ] [ 2.192181301675777e-08 -2.36337457856597e-08 2.864551911949638e-08 ] [ 8.472492939360496e-09 2.924538750460751e-08 -2.373037818462534e-08 ] [ -5.879436568925458e-09 -5.934190634505975e-09 1.08399729352996e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -13.297715 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.130528808306147e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8245138 1.4914649 1.1401561 ] [ 1.390584 2.7935457 5.4898355 ] [ 1.7030583 1.4568685 3.372207 ] [ 0.7854958 3.7855183 3.1556335 ] [ 4.1746693 1.569364 3.3509066 ] [ 4.1356727 3.5434967 1.6723153 ] [ 3.1634311 3.7424528 3.964934 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8245138e-10 1.4914649e-10 1.1401561e-10 ] [ 1.390584e-10 2.7935457e-10 5.4898355e-10 ] [ 1.7030583e-10 1.4568685e-10 3.372207e-10 ] [ 7.854958e-11 3.7855183e-10 3.1556335e-10 ] [ 4.1746693e-10 1.569364e-10 3.3509066e-10 ] [ 4.1356727e-10 3.5434967e-10 1.6723153e-10 ] [ 3.1634311e-10 3.7424528e-10 3.964934e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.66e-05 -1.67e-05 -7.23e-05 ] [ 4.27e-05 3.94e-05 -7.6e-06 ] [ 9.8e-06 5.64e-05 1.57e-05 ] [ -7.32e-05 6.9e-06 -2.56e-05 ] [ 0.0001007 -0.000149 8.66e-05 ] [ -1.1e-06 9.12e-05 -3e-05 ] [ -5.23e-05 -2.8e-05 3.32e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.261789811328e-14 -2.675634956736e-14 -1.1583736968384e-13 ] [ 6.841294170816001e-14 6.312575885952001e-14 -1.217654231808e-14 ] [ 1.570133088384e-14 9.036276141312001e-14 2.515417294656e-14 ] [ -1.1727932864256e-13 1.105501868352e-14 -4.101572149248001e-14 ] [ 1.6133918571456e-13 -2.387243164992e-13 1.3874849536128e-13 ] [ -1.76239428288e-15 1.4611850781696e-13 -4.8065298624e-14 ] [ -8.379383726784e-14 -4.48609453824e-14 5.319226381056e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.048536 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.013217876446715e-18 } }