{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1241932 -0.1666421 0.234185 ] [ -0.613368 -4.1244821 -0.6684223 ] [ -9.631312 1.1296739 1.9752812 ] [ 9.9788978 -11.5932587 -6.7146305 ] [ 0.7673088 -3.7511073 11.9707164 ] [ 2.6205705 17.3690893 0.5985559 ] [ -3.2462903 1.1367271 -7.3956856 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.989794415023386e-10 -2.669900766610157e-10 3.75205731942048e-10 ] [ -9.827238695468545e-10 -6.608148793528087e-09 -1.070930581881364e-09 ] [ -1.543106291403049e-08 1.809937111707957e-09 3.164749358145769e-09 ] [ 1.598795675651256e-08 -1.85744480480262e-08 -1.075802400441061e-08 ] [ 1.229364220294103e-09 -6.009936418172213e-09 1.917920195030714e-08 ] [ 4.198616788258167e-09 2.782834880104743e-08 9.589922692219028e-10 ] [ -5.201130422989818e-09 1.821237583849784e-09 -1.184919456310722e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.553403 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.851059217728058e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8229305 2.0035645 1.3856768 ] [ 3.4386955 0.5943897 2.5304674 ] [ 1.8329695 3.4679796 3.3253772 ] [ 5.3032748 2.1888157 2.0482849 ] [ 3.8420508 2.3299498 4.2844715 ] [ 4.0348291 4.4588013 2.6762056 ] [ 3.6828798 3.2894064 0.4944764 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8229305e-10 2.0035645e-10 1.3856768e-10 ] [ 3.4386955e-10 5.943897e-11 2.5304674e-10 ] [ 1.8329695e-10 3.4679796e-10 3.325377200000001e-10 ] [ 5.3032748e-10 2.1888157e-10 2.0482849e-10 ] [ 3.8420508e-10 2.3299498e-10 4.284471500000001e-10 ] [ 4.0348291e-10 4.4588013e-10 2.6762056e-10 ] [ 3.6828798e-10 3.2894064e-10 4.944764e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.24e-05 5.4e-06 7.2e-06 ] [ 4.8e-06 -1.31e-05 -2e-07 ] [ -3.4e-06 -9.6e-06 -2.88e-05 ] [ 7e-07 5.97e-05 -9.3e-06 ] [ -6.6e-06 -1.27e-05 5.39e-05 ] [ 3.92e-05 -3.76e-05 -2.67e-05 ] [ 7.6e-06 8e-06 3.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.793228872192001e-14 8.65175375232e-15 1.153567166976e-14 ] [ 7.69044777984e-15 -2.098851373248e-14 -3.2043532416e-16 ] [ -5.44740051072e-15 -1.538089555968e-14 -4.614268667904e-14 ] [ 1.12152363456e-15 9.564994426176e-14 -1.490024257344e-14 ] [ -1.057436569728e-14 -2.034764308416e-14 8.635731986112e-14 ] [ 6.280532353535999e-14 -6.024184094208e-14 -4.277811577536e-14 ] [ 1.217654231808e-14 1.28174129664e-14 6.24848882112e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }