{ "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" [ [ 0.1501776 0.7389508 1.254214 ] [ 0.5251994 1.126951 2.894489 ] [ 1.795844 1.050789 0.3566565 ] [ 2.560887 2.159455 0.963327 ] [ 1.607121 2.890729 1.590789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.501776e-11 7.389508e-11 1.254214e-10 ] [ 5.251994e-11 1.126951e-10 2.894489e-10 ] [ 1.795844e-10 1.050789e-10 3.566565e-11 ] [ 2.560887e-10 2.159455e-10 9.633270000000001e-11 ] [ 1.607121e-10 2.890729e-10 1.590789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -26.8213541 -13.4938202 -43.8511201 ] [ 13.7979124 14.4410199 52.4909233 ] [ -45.9712963 -91.2061103 -62.9123064 ] [ 200.3557725 -16.1217528 -38.9925456 ] [ -141.3610344 106.3806634 93.2650488 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.297254647721823e-08 -2.161948324971878e-08 -7.025723942011297e-08 ] [ 2.210669266312642e-08 2.313706446428756e-08 8.409973011546599e-08 ] [ -7.365413615972954e-08 -1.461282975967661e-07 -1.007966264746862e-07 ] [ 3.210053345418236e-07 -2.582989542247694e-08 -6.24729449457979e-08 ] [ -2.264853444077845e-07 1.704406118046742e-07 1.494270807251311e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 89.256255 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.430042850211631e-17 } "relaxed-configuration-positions" { "source-value" [ [ -0.0766236 -0.0286535 1.1943434 ] [ -0.0821864 1.7099609 3.0394495 ] [ 1.8719403 0.4722843 -0.3481829 ] [ 3.0684496 2.5226472 0.5415404 ] [ 1.8576491 3.2906359 2.6323251 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.66236e-12 -2.86535e-12 1.1943434e-10 ] [ -8.21864e-12 1.7099609e-10 3.0394495e-10 ] [ 1.8719403e-10 4.722843e-11 -3.481829e-11 ] [ 3.0684496e-10 2.522647200000001e-10 5.415404000000001e-11 ] [ 1.8576491e-10 3.2906359e-10 2.6323251e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.51e-05 -3.2e-06 1.19e-05 ] [ -2.4e-05 3.96e-05 2e-06 ] [ -2.1e-06 -1.38e-05 -1.49e-05 ] [ 9e-07 2.53e-05 -1.2e-05 ] [ 1e-07 -4.8e-05 1.31e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.021463318208e-14 -5.126965186560001e-15 1.906590178752e-14 ] [ -3.84522388992e-14 6.344619418368e-14 3.2043532416e-15 ] [ -3.36457090368e-15 -2.211003736704e-14 -2.387243164992e-14 ] [ 1.44195895872e-15 4.053506850624e-14 -1.92261194496e-14 ] [ 1.6021766208e-16 -7.69044777984e-14 2.098851373248e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.716098 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.197561154420164e-18 } }