{ "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" [ [ 3.095423 1.998262 0.8352723 ] [ 3.003915 2.107064 3.861401 ] [ 2.921301 4.877628 0.9226955 ] [ 1.839297 3.508607 2.236053 ] [ 4.200263 0.9739816 2.537715 ] [ 4.333089 3.298954 2.357847 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.095423e-10 1.998262e-10 8.352723e-11 ] [ 3.003915e-10 2.107064e-10 3.861401e-10 ] [ 2.921301e-10 4.877627999999999e-10 9.226955000000001e-11 ] [ 1.839297e-10 3.508607e-10 2.236053e-10 ] [ 4.200263e-10 9.739816e-11 2.537715e-10 ] [ 4.333089e-10 3.298954000000001e-10 2.357847e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8987006 0.01058 -1.8635156 ] [ -2.1817057 1.3231267 2.6686214 ] [ 1.1417644 0.5443604 -0.6918983 ] [ -1.4623619 -1.0782708 1.1549546 ] [ 2.031116 -2.9676483 -1.0307956 ] [ 1.3698878 2.167852 -0.2373666 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.439877090418933e-09 1.6951028648064e-11 -2.985681126816084e-09 ] [ -3.495477866006099e-09 2.119882665096255e-09 4.275602816846565e-09 ] [ 1.82930822814174e-09 8.721615061693363e-10 -1.108543280231265e-09 ] [ -2.342962047328668e-09 -1.727580266651313e-09 1.850441258205416e-09 ] [ 3.254206569332813e-09 -4.754696725016864e-09 -1.651516611143508e-09 ] [ 2.194802206279146e-09 3.473281791754521e-09 -3.803032170787853e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.937444 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.034113003450924e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7017673 2.0249533 0.5666633 ] [ 2.97006 2.4429449 3.8886629 ] [ 3.2735902 4.2965213 1.1039095 ] [ 1.4676024 3.207344 2.25619 ] [ 4.2042237 1.2605803 2.1991522 ] [ 4.7760443 3.5321527 2.7364058 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.701767300000001e-10 2.0249533e-10 5.666633e-11 ] [ 2.97006e-10 2.4429449e-10 3.8886629e-10 ] [ 3.2735902e-10 4.2965213e-10 1.1039095e-10 ] [ 1.4676024e-10 3.207344e-10 2.25619e-10 ] [ 4.2042237e-10 1.2605803e-10 2.1991522e-10 ] [ 4.7760443e-10 3.5321527e-10 2.7364058e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.59e-05 -4e-06 3.15e-05 ] [ -5.08e-05 4.4e-05 3.45e-05 ] [ 3.05e-05 -2.61e-05 5.56e-05 ] [ -2e-05 -2.72e-05 -4.08e-05 ] [ 2.82e-05 -3.05e-05 -7.07e-05 ] [ 4.81e-05 4.36e-05 -1.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.751814068672e-14 -6.4087064832e-15 5.04685635552e-14 ] [ -8.139057233664001e-14 7.04957713152e-14 5.52750934176e-14 ] [ 4.88663869344e-14 -4.181680980288e-14 8.908102011648e-14 ] [ -3.2043532416e-14 -4.357920408576e-14 -6.536880612864e-14 ] [ 4.518138070656001e-14 -4.88663869344e-14 -1.1327388709056e-13 ] [ 7.706469546047999e-14 6.985490066688e-14 -1.618198387008e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.411418 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.27026967169763e-18 } }