{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.256228 0.2353278 1.625271 ] [ 0.7175946 2.735818 1.079118 ] [ 2.902295 0.4260222 2.532348 ] [ 1.615511 1.481432 2.901286 ] [ 2.936652 2.941975 2.695922 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.256228e-10 2.353278e-11 1.625271e-10 ] [ 7.175946e-11 2.735818e-10 1.079118e-10 ] [ 2.902295e-10 4.260222e-11 2.532348e-10 ] [ 1.615511e-10 1.481432e-10 2.901286e-10 ] [ 2.936652e-10 2.941975e-10 2.695922e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -19.7436133 -17.7095582 -25.386558 ] [ 0.7287765 -0.6132774 -1.01e-05 ] [ 38.8996549 -19.6972539 0.6198925 ] [ -26.5591798 28.4506509 26.1107233 ] [ 6.6743616 9.5694387 -1.3440478 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.163275563937594e-08 -2.837384011273693e-08 -4.067374971018321e-08 ] [ 1.167628670088451e-09 -9.825787123450099e-10 -1.618198387008e-14 ] [ 6.232411763796817e-08 -3.155847969254162e-08 9.93177270909264e-10 ] [ -4.255249694318362e-08 4.558296771852248e-08 4.183399042343782e-08 ] [ 1.069350611428528e-08 1.533193095931874e-08 -2.153401962397674e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 9.3737416 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.501838964094039e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0391972 0.1116265 1.2778856 ] [ 0.9701624 2.6422712 1.1093209 ] [ 3.2447658 0.4798843 2.4767212 ] [ 1.0923756 1.5749759 3.5035448 ] [ 3.0817796 3.0118172 2.4664725 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0391972e-10 1.116265e-11 1.2778856e-10 ] [ 9.701624e-11 2.6422712e-10 1.1093209e-10 ] [ 3.2447658e-10 4.798843e-11 2.4767212e-10 ] [ 1.0923756e-10 1.5749759e-10 3.5035448e-10 ] [ 3.0817796e-10 3.0118172e-10 2.4664725e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.6e-06 -8.2e-06 6.1e-06 ] [ 1.65e-05 0.0 1.6e-06 ] [ -2.12e-05 1.7e-05 -1.01e-05 ] [ -6e-07 -9.4e-06 5.1e-06 ] [ 1.6e-06 5e-07 -2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.76783583488e-15 -1.313784829056e-14 9.77327738688e-15 ] [ 2.64359142432e-14 0.0 2.56348259328e-15 ] [ -3.396614436096001e-14 2.72370025536e-14 -1.618198387008e-14 ] [ -9.6130597248e-16 -1.506046023552e-14 8.17110076608e-15 ] [ 2.56348259328e-15 8.010883104e-16 -4.16565921408e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.43983 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.672645155112647e-18 } }