{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.5729335 -0.4747218 -0.2582284 ] [ 0.900995 -3.3636936 -1.9136063 ] [ 2.0545228 -0.7261207 2.4806253 ] [ -1.0426231 -2.1769125 1.7273306 ] [ 3.4233493 2.0634652 -0.6503065 ] [ -0.9457615 1.6437401 -3.8506397 ] [ -0.8175491 3.0342434 2.4648251 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.724470521373117e-09 -7.605881693440935e-10 -4.137275053065907e-10 ] [ 1.443553124457696e-09 -5.389231245454587e-09 -3.065935275275591e-09 ] [ 3.291708397060554e-09 -1.16337360941893e-09 3.974399860624986e-09 ] [ -1.67046635512602e-09 -3.48779831302728e-09 2.767488703712437e-09 ] [ 5.484810213292045e-09 3.306035701274396e-09 -1.041905870654275e-09 ] [ -1.515276964152739e-09 2.633561958891454e-09 -6.169404902464326e-09 ] [ -1.309858054376081e-09 4.861393837296702e-09 3.949085149581022e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 16.91096 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.709434474728397e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.6315714 2.4289193 2.029428 ] [ 5.1756946 -0.0970458 0.6535461 ] [ 7.217856 1.7338761 5.9046553 ] [ 2.3262791 -0.733542 5.4205868 ] [ 7.8657996 4.9431279 1.4852808 ] [ 3.1281935 4.6776496 -1.2958358 ] [ 3.1896845 5.5853173 4.5317068 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.315714000000001e-11 2.4289193e-10 2.029428e-10 ] [ 5.1756946e-10 -9.70458e-12 6.535461e-11 ] [ 7.217856000000001e-10 1.7338761e-10 5.9046553e-10 ] [ 2.3262791e-10 -7.33542e-11 5.4205868e-10 ] [ 7.8657996e-10 4.9431279e-10 1.4852808e-10 ] [ 3.1281935e-10 4.6776496e-10 -1.2958358e-10 ] [ 3.1896845e-10 5.5853173e-10 4.5317068e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 -0.0 0.0 ] [ -0.0 -0.0 0.0 ] [ 0.0 0.0 -0.0 ] [ -0.0 0.0 -0.0 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 2.220446e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.557546668948877e-34 } }