{ "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" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5417687 -5.8761871 -0.4160041 ] [ -0.0625374 5.2737649 -0.9630777 ] [ 2.4224048 -2.65698 0.5710093 ] [ -3.0943547 -4.4902222 -0.0130991 ] [ -0.2142349 -0.7417657 -2.7330142 ] [ 0.0603077 6.2515355 1.9236091 ] [ 1.4301832 2.2398545 1.6305767 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.680091450212089e-10 -9.414689591066553e-09 -6.665120431769452e-10 ] [ -1.001959602056179e-10 8.44950282637565e-09 -1.543020574953836e-09 ] [ 3.8811203366737e-09 -4.256951237933184e-09 9.148577507193735e-10 ] [ -4.957702756802598e-09 -7.194129031037141e-09 -2.098707177352128e-11 ] [ -3.432421481394259e-10 -1.188439662651347e-09 -4.378771455554415e-09 ] [ 9.662358699422016e-11 1.001606402220124e-08 3.081961527578129e-09 ] [ 2.291406086500931e-09 3.588642513893673e-09 2.612471867161215e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.529152 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.128915075844956e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5724311 2.4907998 3.4004616 ] [ 2.6920607 4.8849261 3.0035346 ] [ 6.0749429 2.8103418 1.4786103 ] [ 3.6671455 2.6405223 1.189853 ] [ 4.8423375 1.5045453 3.1154611 ] [ 4.7552666 4.8648377 1.6819344 ] [ 4.6461887 3.813437 3.974617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5724311e-10 2.4907998e-10 3.4004616e-10 ] [ 2.6920607e-10 4.884926100000001e-10 3.0035346e-10 ] [ 6.0749429e-10 2.8103418e-10 1.4786103e-10 ] [ 3.6671455e-10 2.6405223e-10 1.189853e-10 ] [ 4.8423375e-10 1.5045453e-10 3.1154611e-10 ] [ 4.7552666e-10 4.8648377e-10 1.6819344e-10 ] [ 4.6461887e-10 3.813437e-10 3.974617e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.34e-05 -1.51e-05 -1.13e-05 ] [ 5e-06 2.31e-05 -8.1e-06 ] [ 1.4e-06 1.71e-05 4.8e-06 ] [ -8.8e-06 6.7e-06 -1.72e-05 ] [ -1.2e-05 -2.1e-06 2.34e-05 ] [ -2.27e-05 -3.08e-05 2.82e-05 ] [ 2.36e-05 1.1e-06 -1.98e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.146916671872e-14 -2.419286697408e-14 -1.810459581504e-14 ] [ 8.010883104e-15 3.701027994048e-14 -1.297763062848e-14 ] [ 2.24304726912e-15 2.739722021568e-14 7.69044777984e-15 ] [ -1.409915426304e-14 1.073458335936e-14 -2.755743787776e-14 ] [ -1.92261194496e-14 -3.36457090368e-15 3.749093292672001e-14 ] [ -3.636940929216e-14 -4.934703992064001e-14 4.518138070656001e-14 ] [ 3.781136825088e-14 1.76239428288e-15 -3.172309709184e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.032609 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.530013103502767e-18 } }