{ "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" [ [ -8.6716011 -10.4193788 2.2022551 ] [ 7.5100825 27.527651 -11.0476008 ] [ -0.2913038 3.2349379 -11.4626145 ] [ -13.05663 -23.7748823 13.6498578 ] [ 8.6290029 -12.4429202 -0.7014496 ] [ 13.7016484 22.9904197 -18.7046363 ] [ -7.8211989 -7.1158273 26.0641883 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.38934366617887e-08 -1.669368525415496e-08 3.528401663327333e-09 ] [ 1.20324787009123e-08 4.410415922110672e-08 -1.770020786351971e-08 ] [ -4.667201417554092e-10 5.182941915821027e-09 -1.83651331164496e-08 ] [ -2.091902750478342e-08 -3.809156089716018e-08 2.186948322458264e-08 ] [ 1.382518682109824e-08 -1.993575600316661e-08 -1.123846159048646e-09 ] [ 2.195246091376348e-08 3.683471324919329e-08 -2.996813122732822e-08 ] [ -1.25309421274465e-08 -1.140081223163931e-08 4.175943347843618e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -12.773008 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.046461496349507e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8246463 0.9221677 4.3293359 ] [ 2.0431396 5.5400547 2.0789764 ] [ 2.9620927 3.3874749 0.7358657 ] [ 1.2169102 3.1230073 2.8575315 ] [ 3.7659281 1.7534246 2.6916922 ] [ 4.2522593 4.4293152 2.9770961 ] [ 2.9813508 3.2577925 4.960697 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8246463e-10 9.221677e-11 4.3293359e-10 ] [ 2.0431396e-10 5.5400547e-10 2.0789764e-10 ] [ 2.9620927e-10 3.3874749e-10 7.358657e-11 ] [ 1.2169102e-10 3.1230073e-10 2.8575315e-10 ] [ 3.7659281e-10 1.7534246e-10 2.6916922e-10 ] [ 4.252259300000001e-10 4.4293152e-10 2.9770961e-10 ] [ 2.9813508e-10 3.2577925e-10 4.960697e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8e-07 -4.7e-05 2.57e-05 ] [ 1.97e-05 6.26e-05 -2.19e-05 ] [ -2.05e-05 2.01e-05 5.81e-05 ] [ 1.29e-05 -3.2e-05 -2.85e-05 ] [ -3.2e-06 2.27e-05 2.34e-05 ] [ -1.18e-05 -3.15e-05 -2e-05 ] [ 2.1e-06 5.1e-06 -3.69e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.2817413072e-15 -7.530230179799998e-14 4.11759394938e-14 ] [ 3.15628796898e-14 1.002962572884e-13 -3.50876682846e-14 ] [ -3.2844620997e-14 3.22037503434e-14 9.308646243539999e-14 ] [ 2.06680785786e-14 -5.126965228799999e-14 -4.5662034069e-14 ] [ -5.1269652288e-15 3.636940959179999e-14 3.749093323559999e-14 ] [ -1.89056842812e-14 -5.046856397099999e-14 -3.204353268e-14 ] [ 3.364570931399999e-15 8.1711008334e-15 -5.91203177946e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.714839 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.959753755887193e-18 } }