{ "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" [ [ 1.063375 0.5708417 2.359419 ] [ 2.68579 2.886891 2.868985 ] [ 0.6763911 2.686272 1.583941 ] [ 2.607368 0.7750333 4.497523 ] [ 3.625325 0.6457468 2.38821 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.063375e-10 5.708417e-11 2.359419e-10 ] [ 2.68579e-10 2.886891e-10 2.868985e-10 ] [ 6.763911e-11 2.686272e-10 1.583941e-10 ] [ 2.607368e-10 7.750333e-11 4.497523e-10 ] [ 3.625325e-10 6.457468e-11 2.38821e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.8884833 -4.7338017 -1.1519792 ] [ 2.1159351 5.6461544 0.3722931 ] [ -0.9983457 1.620778 -0.859954 ] [ -0.5233936 -0.869515 4.2332814 ] [ 3.2942876 -1.6636157 -2.5936414 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.230037033631233e-09 -7.584386411243295e-09 -1.845674141887887e-09 ] [ 3.39010174835011e-09 9.046136577107053e-09 5.964793009051565e-10 ] [ -1.599526140016211e-09 2.596772619106982e-09 -1.377798193763443e-09 ] [ -8.385689893963469e-10 -1.393116604434912e-09 6.782464488347493e-09 ] [ 5.278030574911342e-09 -2.665406180535827e-09 -4.155471613818981e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.4897806 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.52043046138414e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.241416 0.1632554 2.4373455 ] [ 3.0218867 2.8626522 3.0418865 ] [ 0.8428495 2.5598249 1.8608946 ] [ 1.9850059 1.1962837 4.5855032 ] [ 3.5670911 0.7827686 1.7724482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.241416e-10 1.632554e-11 2.4373455e-10 ] [ 3.0218867e-10 2.8626522e-10 3.0418865e-10 ] [ 8.428495e-11 2.5598249e-10 1.8608946e-10 ] [ 1.9850059e-10 1.1962837e-10 4.5855032e-10 ] [ 3.5670911e-10 7.827686000000001e-11 1.7724482e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.1e-06 5.54e-05 -4.3e-06 ] [ -1.09e-05 1.4e-06 1.39e-05 ] [ 2.98e-05 -6.82e-05 3.36e-05 ] [ 3e-06 1.32e-05 -5.21e-05 ] [ -1.58e-05 -1.8e-06 8.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.77327738688e-15 8.876058479231999e-14 -6.889359469440001e-15 ] [ -1.746372516672e-14 2.24304726912e-15 2.227025502912e-14 ] [ 4.774486329984001e-14 -1.0926844553856e-13 5.383313445888e-14 ] [ 4.8065298624e-15 2.114873139456e-14 -8.347340194367999e-14 ] [ -2.531439060864e-14 -2.88391791744e-15 1.409915426304e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.458486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.835851837896411e-18 } }