{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.8503886 -3.1803803 3.1493124 ] [ -5.3627971 -5.2430773 -3.7827025 ] [ -4.4411843 7.1447175 -3.2301004 ] [ 5.0674908 -1.8944673 -3.1448072 ] [ 4.1924586 -6.0204652 2.6467084 ] [ 2.4853311 3.5034804 1.585654 ] [ 6.9090896 5.6901921 2.7759352 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.417988581673997e-08 -5.09553100389391e-09 5.045754740446461e-09 ] [ -8.59214820650296e-09 -8.400335940315809e-09 -6.060557558873385e-09 ] [ -7.115561712747645e-09 1.144709943503089e-08 -5.175191386354053e-09 ] [ 8.119015352769965e-09 -3.035271241937068e-09 -5.038536614274964e-09 ] [ 6.717059207932352e-09 -9.645848669250135e-09 4.240494355491525e-09 ] [ 3.981939416173517e-09 5.613194434556973e-09 2.540497788408635e-09 ] [ 1.106958191933241e-08 9.116692825591391e-09 4.447538514938116e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.243451 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.922923091572393e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.536586 2.5098958 1.925536 ] [ 1.8914942 2.5587911 4.3556963 ] [ 2.0370726 4.7140359 3.0284663 ] [ 4.9427218 1.9282712 1.2449995 ] [ 4.2603903 2.0048713 3.7187453 ] [ 4.4061313 4.1625203 2.3900292 ] [ 3.7589728 4.2095783 4.8196755 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.536586e-10 2.5098958e-10 1.925536e-10 ] [ 1.8914942e-10 2.5587911e-10 4.3556963e-10 ] [ 2.0370726e-10 4.7140359e-10 3.0284663e-10 ] [ 4.942721800000001e-10 1.9282712e-10 1.2449995e-10 ] [ 4.2603903e-10 2.0048713e-10 3.7187453e-10 ] [ 4.4061313e-10 4.1625203e-10 2.3900292e-10 ] [ 3.7589728e-10 4.209578300000001e-10 4.8196755e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8e-06 -4.72e-05 -6.7e-06 ] [ 5.24e-05 4.02e-05 -7.3e-06 ] [ 5.23e-05 -8.1e-06 4.52e-05 ] [ -3.1e-05 2.41e-05 -3.9e-06 ] [ -5.2e-06 3.78e-05 5.9e-06 ] [ 1.9e-05 -1.45e-05 5.11e-05 ] [ -7.96e-05 -3.23e-05 -8.44e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.2817413072e-14 -7.562273712480001e-14 -1.07345834478e-14 ] [ 8.395405562159998e-14 6.44075006868e-14 -1.16958894282e-14 ] [ 8.379383795819998e-14 -1.29776307354e-14 7.24183838568e-14 ] [ -4.966747565399999e-14 3.86124568794e-14 -6.248488872599999e-15 ] [ -8.331318496799998e-15 6.056227676519999e-14 9.452842140600001e-15 ] [ 3.0441356046e-14 -2.3231561193e-14 8.187122599739999e-14 ] [ -1.275332600664e-13 -5.17503052782e-14 -1.352237079096e-13 ] ] } "relaxed-potential-energy" { "source-value" -25.837867 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.139682677979968e-18 } }