{ "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" [ [ 0.8164278 0.1663691 0.8726527 ] [ 0.2293415 1.783801 2.502887 ] [ 2.371717 0.4239938 0.3261347 ] [ 1.905698 2.704881 0.8462502 ] [ 2.020767 2.181943 2.752956 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.164278e-11 1.663691e-11 8.726527e-11 ] [ 2.293415e-11 1.783801e-10 2.502887e-10 ] [ 2.371717e-10 4.239938e-11 3.261347e-11 ] [ 1.905698e-10 2.704881e-10 8.462502e-11 ] [ 2.020767e-10 2.181943e-10 2.752956e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.1192448 -2.6058741 6.3570183 ] [ -12.8237563 -2.0137961 -2.4387911 ] [ 16.4765423 4.0034616 -6.1881209 ] [ -0.7923808 -0.5646858 -4.3445339 ] [ 13.2588395 1.1808943 6.6144275 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.5825877376286e-08 -4.175070594165779e-09 1.01850661821704e-08 ] [ -2.054592270397029e-08 -3.226457057060327e-09 -3.907374115627157e-09 ] [ 2.639833108217261e-08 6.414252630636253e-09 -9.91446271434705e-09 ] [ -1.269534002990227e-09 -9.047263943115971e-10 -6.960710700200892e-09 ] [ 2.124300284085624e-08 1.892001254683786e-09 1.059748118778703e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.11002104636885 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.380626417740402e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5870443 0.1111318 1.085941 ] [ -0.1308377 1.8266402 2.5289413 ] [ 2.7560083 0.5662575 0.2757857 ] [ 1.8831942 2.7962585 0.5787111 ] [ 2.2485421 1.9606999 2.8315015 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.870443e-11 1.111318e-11 1.085941e-10 ] [ -1.308377e-11 1.8266402e-10 2.5289413e-10 ] [ 2.7560083e-10 5.662575e-11 2.757857e-11 ] [ 1.8831942e-10 2.7962585e-10 5.787111e-11 ] [ 2.2485421e-10 1.9606999e-10 2.8315015e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.067961 -0.1581492 -0.0190921 ] [ -0.0913852 0.0330696 0.0580053 ] [ 0.0470196 -0.0300347 -0.0998078 ] [ 0.0750224 0.0924291 -0.0384438 ] [ 0.0373041 0.0626851 0.0993384 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.08885526223274e-10 -2.533829529257927e-10 -3.05889165139914e-11 ] [ -1.464152321334168e-10 5.298334041572639e-11 9.29347363081602e-11 ] [ 7.53337044600264e-11 -4.81208945491998e-11 -1.599097250509452e-10 ] [ 1.201991363066016e-10 1.480877443216494e-10 -6.159375808216919e-11 ] [ 5.97677573723994e-11 1.004326025199534e-10 1.591576633389456e-10 ] ] } "relaxed-potential-energy" { "source-value" -11.023475046368851 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.766155414477424e-18 } }