{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.816977 2.980856 2.674074 ] [ 1.919186 2.00454 4.634036 ] [ 0.9862405 4.087254 4.422598 ] [ 4.092598 2.125916 2.093906 ] [ 4.150721 2.426451 4.257829 ] [ 3.183229 4.446818 3.622817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.816977e-10 2.980856e-10 2.674074e-10 ] [ 1.919186e-10 2.00454e-10 4.634036e-10 ] [ 9.862405e-11 4.087254e-10 4.422598e-10 ] [ 4.092598e-10 2.125916e-10 2.093906e-10 ] [ 4.150721e-10 2.426451e-10 4.257829e-10 ] [ 3.183229e-10 4.446818000000001e-10 3.622817e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.2001747 -2.0394292 -12.9333718 ] [ -3.1751519 -10.3192575 7.1481308 ] [ -6.0341852 5.1721824 4.7043874 ] [ 2.5747571 -3.1665733 -4.6411219 ] [ 7.5862439 -2.4918492 5.7844129 ] [ 6.2485109 12.8449268 -0.0624373 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.153595157001565e-08 -3.267525784016847e-09 -2.072154592607401e-08 ] [ -5.087154141668699e-09 -1.653327311051506e-08 1.14525680501804e-08 ] [ -9.667830453017372e-09 8.286749719793234e-09 7.537259507466097e-09 ] [ 4.125215629858808e-09 -5.073409709309504e-09 -7.435897002462875e-09 ] [ 1.215450261626661e-08 -3.992382530799183e-09 9.26765111343393e-09 ] [ 1.001121807879397e-08 2.057984141484736e-08 -1.000355823258758e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -1.0774935 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.726334894763965e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.5394491 2.9260914 1.8496069 ] [ 2.0947779 1.9199545 5.2412834 ] [ 1.1869296 3.8054335 4.0084266 ] [ 3.7162191 2.0351933 2.0503713 ] [ 4.2366358 2.5572316 4.2897135 ] [ 3.37494 4.8279307 4.2658583 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5394491e-10 2.9260914e-10 1.8496069e-10 ] [ 2.0947779e-10 1.9199545e-10 5.241283400000001e-10 ] [ 1.1869296e-10 3.8054335e-10 4.0084266e-10 ] [ 3.7162191e-10 2.0351933e-10 2.0503713e-10 ] [ 4.2366358e-10 2.5572316e-10 4.2897135e-10 ] [ 3.37494e-10 4.8279307e-10 4.2658583e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.4e-06 9.5e-06 3e-06 ] [ 4.6e-06 -6.6e-06 -9e-07 ] [ -5e-07 -3.2e-06 -4.8e-06 ] [ -1e-05 9e-07 1e-05 ] [ 7e-07 3.5e-06 1.9e-06 ] [ -1.2e-06 -4.1e-06 -9.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.025393037312e-14 1.52206778976e-14 4.8065298624e-15 ] [ 7.370012455680001e-15 -1.057436569728e-14 -1.44195895872e-15 ] [ -8.010883104e-16 -5.126965186560001e-15 -7.69044777984e-15 ] [ -1.6021766208e-14 1.44195895872e-15 1.6021766208e-14 ] [ 1.12152363456e-15 5.6076181728e-15 3.04413557952e-15 ] [ -1.92261194496e-15 -6.568924145279999e-15 -1.474002491136e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.5540646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.53072989357329e-18 } }