{ "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" [ [ 0.7988983 0.4673865 0.2218489 ] [ 0.3258309 0.1815657 2.151485 ] [ 0.290514 2.993692 1.621534 ] [ 2.152844 0.6900228 1.637351 ] [ 2.682916 2.279137 0.4360972 ] [ 1.831466 2.039249 2.911237 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.988983e-11 4.673865e-11 2.218489e-11 ] [ 3.258309e-11 1.815657e-11 2.151485e-10 ] [ 2.90514e-11 2.993692e-10 1.621534e-10 ] [ 2.152844e-10 6.900228e-11 1.637351e-10 ] [ 2.682916e-10 2.279137e-10 4.360972e-11 ] [ 1.831466e-10 2.039249e-10 2.911237e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.3461145 8.6884868 -4.6049327 ] [ -9.9885976 4.5839105 4.0479503 ] [ 6.1148372 -21.8146087 -5.6364749 ] [ 9.4512144 -2.2103857 1.9623396 ] [ -0.5278754 5.234516 -2.2783079 ] [ 1.2965358 5.5180811 6.5094257 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.016759628481988e-08 1.392049042108941e-08 -7.37791551229742e-09 ] [ -1.600349754929899e-08 7.344234234939639e-09 6.485531332820347e-09 ] [ 9.797049201838135e-09 -3.495085605104028e-08 -9.030628308506018e-09 ] [ 1.51425147498483e-08 -3.541428291490642e-09 3.144014629190024e-09 ] [ -8.457496245754484e-10 8.386619156403534e-09 -3.650251652363945e-09 ] [ 2.077279346790225e-09 8.840940530098347e-09 1.042924967137467e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.380048 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.66306702283818e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7428239 0.6619586 -0.1251096 ] [ 0.1183439 0.3708624 2.4694584 ] [ 0.3293164 2.4942605 1.3696998 ] [ 2.3648465 0.3894251 1.6234892 ] [ 2.575818 2.5128111 0.523722 ] [ 1.9513205 2.2217352 3.1182934 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.428239e-11 6.619586e-11 -1.251096e-11 ] [ 1.183439e-11 3.708624e-11 2.4694584e-10 ] [ 3.293164e-11 2.4942605e-10 1.3696998e-10 ] [ 2.3648465e-10 3.894251e-11 1.6234892e-10 ] [ 2.575818e-10 2.5128111e-10 5.237220000000001e-11 ] [ 1.9513205e-10 2.2217352e-10 3.118293400000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.69e-05 -2.36e-05 3.24e-05 ] [ 2.44e-05 4.8e-05 7.9e-06 ] [ 3.18e-05 -5.18e-05 -1.17e-05 ] [ -0.0001189 8.47e-05 -2.03e-05 ] [ -3.3e-05 1.24e-05 2.84e-05 ] [ 2.88e-05 -6.97e-05 -3.66e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.0718561593152e-13 -3.781136825088e-14 5.191052251392001e-14 ] [ 3.909310954752e-14 7.69044777984e-14 1.265719530432e-14 ] [ 5.094921654144e-14 -8.299274895744e-14 -1.874546646336e-14 ] [ -1.9049880021312e-13 1.3570435978176e-13 -3.252418540224e-14 ] [ -5.28718284864e-14 1.986699009792e-14 4.550181603071999e-14 ] [ 4.614268667904e-14 -1.1167171046976e-13 -5.863966432128e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.159201 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.390077715700798e-18 } }