{ "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" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -28.988156 -43.6916275 -4.6614199 ] [ -19.1935661 2.3800361 22.2394275 ] [ -22.8963915 11.3955024 -11.493856 ] [ 11.333932 -19.9271813 -15.1219982 ] [ 21.9124893 -5.495155 21.2520237 ] [ 9.2384094 9.7644501 -23.7899696 ] [ 28.5932829 45.5739753 11.5757925 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.644414582330325e-08 -7.000170410520237e-08 -7.468417983511875e-09 ] [ -3.075148287519944e-08 3.813238196080011e-09 3.56314908004766e-08 ] [ -3.668406316198384e-08 1.825760752755029e-08 -1.84151873660418e-08 ] [ 1.815896087213699e-08 -3.192686399730296e-08 -2.422811197581968e-08 ] [ 3.510767805999016e-08 -8.804208868672224e-09 3.404949551682751e-08 ] [ 1.480156355405896e-08 1.564437366518822e-08 -3.811573310266273e-08 ] [ 4.581148937430042e-08 7.301755774257667e-08 1.854646411073199e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 24.767848 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.968246701312804e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4129044 0.6307357 2.9343471 ] [ 1.7877054 2.6110763 4.0661522 ] [ 1.4843183 4.1034005 2.2578391 ] [ 3.6451396 1.4034557 1.0659581 ] [ 3.8017633 3.4215035 5.0044522 ] [ 3.6154353 3.7572622 1.2947203 ] [ 5.0339386 4.1942712 3.1360459 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4129044e-10 6.307357e-11 2.9343471e-10 ] [ 1.7877054e-10 2.6110763e-10 4.0661522e-10 ] [ 1.4843183e-10 4.1034005e-10 2.2578391e-10 ] [ 3.6451396e-10 1.4034557e-10 1.0659581e-10 ] [ 3.8017633e-10 3.4215035e-10 5.004452200000001e-10 ] [ 3.6154353e-10 3.7572622e-10 1.2947203e-10 ] [ 5.0339386e-10 4.1942712e-10 3.1360459e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.82e-05 -2.24e-05 -1.81e-05 ] [ 2.31e-05 1.02e-05 1.09e-05 ] [ -1.85e-05 2.1e-06 -7.2e-06 ] [ -2.65e-05 -4.5e-06 -5e-07 ] [ -2.78e-05 1.76e-05 9.8e-06 ] [ 5.4e-06 6.8e-06 -8e-07 ] [ 2.61e-05 -9.8e-06 5.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.915961449856e-14 -3.588875630592e-14 -2.899939683648e-14 ] [ 3.701027994048e-14 1.634220153216e-14 1.746372516672e-14 ] [ -2.96402674848e-14 3.36457090368e-15 -1.153567166976e-14 ] [ -4.24576804512e-14 -7.2097947936e-15 -8.010883104e-16 ] [ -4.454051005824e-14 2.819830852608e-14 1.570133088384e-14 ] [ 8.65175375232e-15 1.089480102144e-14 -1.28174129664e-15 ] [ 4.181680980288e-14 -1.570133088384e-14 9.292624400640001e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }