{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1647078 -1.1679175 -0.3082225 ] [ -2.9850596 -5.1299849 5.1809314 ] [ 0.6187832 6.7264838 -4.3392735 ] [ 1.8262511 -1.3381774 -0.339689 ] [ 0.5518406 0.2514122 1.4709705 ] [ -3.5325923 -0.0426258 3.2036801 ] [ 3.3560691 0.7008096 -4.868397 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.638909864234022e-10 -1.871210113523184e-09 -4.93826883504528e-10 ] [ -4.7825927028146e-09 -8.219141871837026e-09 8.300767163048614e-09 ] [ 9.913999763838106e-10 1.077701508454994e-08 -6.952282552956989e-09 ] [ 2.925976816130283e-09 -2.14399654476293e-09 -5.442417741429312e-10 ] [ 8.841461077282445e-10 4.028067490238938e-10 2.356754544986486e-09 ] [ -5.6598367938781e-09 -6.829406020289663e-11 5.132861356742207e-09 ] [ 5.377015449809298e-09 1.1228207567522e-09 -7.800031854172858e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.426711 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.792066894163819e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9565268 1.0245696 1.987152 ] [ 2.101628 2.491178 3.9855251 ] [ 2.7526231 3.4927926 1.895105 ] [ 4.8752913 2.4844831 1.4134194 ] [ 4.2585555 2.2725111 5.1125749 ] [ 3.1175317 0.2501695 4.3177276 ] [ 5.2415277 0.9996607 3.273006 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9565268e-10 1.0245696e-10 1.987152e-10 ] [ 2.101628e-10 2.491178e-10 3.9855251e-10 ] [ 2.7526231e-10 3.4927926e-10 1.895105e-10 ] [ 4.8752913e-10 2.4844831e-10 1.4134194e-10 ] [ 4.2585555e-10 2.2725111e-10 5.1125749e-10 ] [ 3.1175317e-10 2.501695e-11 4.3177276e-10 ] [ 5.2415277e-10 9.996607e-11 3.273006e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.32e-05 -6e-07 -1.91e-05 ] [ 5.7e-06 -1.68e-05 -1.47e-05 ] [ 1.2e-05 1.7e-06 -1.4e-06 ] [ -6e-06 3.4e-06 1.67e-05 ] [ 1.83e-05 2.31e-05 1.5e-05 ] [ -2.7e-06 -1.34e-05 1.22e-05 ] [ -1.4e-05 2.6e-06 -8.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.114873139456e-14 -9.6130597248e-16 -3.060157345728e-14 ] [ 9.13240673856e-15 -2.691656722944e-14 -2.355199632576e-14 ] [ 1.92261194496e-14 2.72370025536e-15 -2.24304726912e-15 ] [ -9.6130597248e-15 5.44740051072e-15 2.675634956736e-14 ] [ 2.931983216064e-14 3.701027994048e-14 2.4032649312e-14 ] [ -4.32587687616e-15 -2.146916671872e-14 1.954655477376e-14 ] [ -2.24304726912e-14 4.16565921408e-15 -1.393893660096e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.454609 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.437407294820527e-18 } }