{ "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" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7514186 0.5805798 -8.5064097 ] [ -8.1242516 -3.8451643 1.5411139 ] [ -5.0705465 7.5200831 -0.2103844 ] [ 4.7924027 -4.5791922 -4.8815402 ] [ 1.9573108 -7.4147384 4.5693022 ] [ 7.8434134 4.1674022 -0.0862424 ] [ 1.3530899 3.5710299 7.5741606 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.408258554954267e-09 9.301913820687399e-10 -1.362877074828634e-08 ] [ -1.301648597501699e-08 -6.160632344594798e-09 2.469136660569909e-09 ] [ -8.123911056979266e-09 1.204850132929319e-08 -3.370729670610355e-10 ] [ 7.678275563398796e-09 -7.336674684989717e-09 -7.821089581935356e-09 ] [ 3.135957603399345e-09 -1.1879720513828e-08 7.320829158210006e-09 ] [ 1.256653357674944e-08 6.676914374310486e-09 -1.381755570016819e-10 ] [ 2.16788900362061e-09 5.721420617957762e-09 1.21351430355045e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 54.636358 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.753709543325906e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2879975 2.890954 -2.227305 ] [ -2.1779595 0.4974781 3.9428744 ] [ -0.1593649 7.6875371 3.1504669 ] [ 7.1400382 -1.353357 -0.8999233 ] [ 4.5085561 -1.8034154 5.9480873 ] [ 7.386625 5.1896077 2.5245187 ] [ 3.5827328 4.8955855 8.8271041 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2879975e-10 2.890954e-10 -2.227305e-10 ] [ -2.1779595e-10 4.974781e-11 3.9428744e-10 ] [ -1.593649e-11 7.6875371e-10 3.1504669e-10 ] [ 7.140038200000001e-10 -1.353357e-10 -8.999233e-11 ] [ 4.5085561e-10 -1.8034154e-10 5.948087300000001e-10 ] [ 7.386625000000001e-10 5.1896077e-10 2.5245187e-10 ] [ 3.5827328e-10 4.895585500000001e-10 8.8271041e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 -0.0 -0.0 ] [ 0.0 0.0 0.0 ] [ -0.0 0.0 0.0 ] [ 0.0 -0.0 0.0 ] [ 0.0 -0.0 -0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 -0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 1.7763568e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.846037335159101e-34 } }