{ "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" [ [ 0.0900209 0.6645307 1.771827 ] [ 2.257627 0.9336486 1.950206 ] [ 2.208369 3.070111 3.037465 ] [ 1.738494 0.324563 4.412062 ] [ 4.235476 0.6031948 3.631674 ] [ 3.30736 2.214082 5.333714 ] [ 4.556657 2.857436 3.382282 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.002090000000001e-12 6.645307e-11 1.771827e-10 ] [ 2.257627e-10 9.336486e-11 1.950206e-10 ] [ 2.208369e-10 3.070111e-10 3.037465e-10 ] [ 1.738494e-10 3.24563e-11 4.412062e-10 ] [ 4.235476000000001e-10 6.031948e-11 3.631674e-10 ] [ 3.30736e-10 2.214082e-10 5.333714e-10 ] [ 4.556657000000001e-10 2.857436e-10 3.382282e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0936263 -0.8267828 -0.2098654 ] [ 1.7736351 0.5274012 -1.4904028 ] [ -1.2385564 2.4750218 -1.8702403 ] [ -0.9098583 -1.4443783 1.681526 ] [ 1.0476877 -4.7259841 -1.1196213 ] [ -0.9038483 0.6538283 4.4482649 ] [ 2.3245665 3.3408939 -1.4396612 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.354359138187874e-09 -1.324652083553095e-09 -3.362414401650636e-10 ] [ 2.841676714462253e-09 8.449898793835608e-10 -2.387888541408175e-09 ] [ -1.984386123971157e-09 3.96542209660062e-09 -2.99645530862515e-09 ] [ -1.457753708510962e-09 -2.314149162916642e-09 2.694101666663484e-09 ] [ 1.678580752669202e-09 -7.571861297675519e-09 -1.793831085788704e-09 ] [ -1.448124626940622e-09 1.047548424907942e-09 7.126906084622346e-09 ] [ 3.72436613047916e-09 5.352702143253132e-09 -2.3065915355164e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.421158 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.150306574882217e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4554987 0.6367655 2.8767096 ] [ 2.3288957 1.2627499 1.3621129 ] [ 2.7331219 3.5889447 2.1500967 ] [ 2.1456664 -0.0382623 4.5746992 ] [ 3.9715436 0.3933148 2.978655 ] [ 2.5325853 2.1650182 5.6661796 ] [ 4.2266924 2.6590355 3.9107771 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.554987e-11 6.367655e-11 2.8767096e-10 ] [ 2.3288957e-10 1.2627499e-10 1.3621129e-10 ] [ 2.7331219e-10 3.5889447e-10 2.1500967e-10 ] [ 2.1456664e-10 -3.82623e-12 4.574699200000001e-10 ] [ 3.9715436e-10 3.933148e-11 2.978655e-10 ] [ 2.5325853e-10 2.1650182e-10 5.666179600000001e-10 ] [ 4.2266924e-10 2.6590355e-10 3.9107771e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.1e-06 2.28e-05 3.59e-05 ] [ -9.8e-06 1.67e-05 -3.76e-05 ] [ 4e-07 6.3e-06 -4.94e-05 ] [ -2.43e-05 -4.49e-05 -5e-06 ] [ 3.49e-05 -1.4e-06 3.66e-05 ] [ 7.4e-06 -2.03e-05 1.17e-05 ] [ -6.5e-06 2.08e-05 7.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.364570931399999e-15 3.65296272552e-14 5.751814116059999e-14 ] [ -1.57013310132e-14 2.67563497878e-14 -6.024184143839999e-14 ] [ 6.408706536e-16 1.00937127942e-14 -7.91475257196e-14 ] [ -3.893289220619999e-14 -7.193773086659999e-14 -8.010883169999999e-15 ] [ 5.59159645266e-14 -2.2430472876e-15 5.86396648044e-14 ] [ 1.18561070916e-14 -3.252418567019999e-14 1.87454666178e-14 ] [ -1.0414148121e-14 3.332527398719999e-14 1.23367600818e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.049323 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.052038020411878e-18 } }