{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.6797151 -1.2994361 -9.2510885 ] [ -5.1617011 -2.2032053 -0.5377767 ] [ 3.5176677 -0.3690528 5.1263324 ] [ -4.2681216 3.9901266 2.0549575 ] [ 5.4099891 -1.4991354 -1.7075499 ] [ 1.8761541 -6.4674155 6.0663857 ] [ 2.3057268 7.8481184 -1.7512606 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.895553504424735e-09 -2.081926139643531e-09 -1.482187771165174e-08 ] [ -8.269956825977644e-09 -3.52992402248265e-09 -8.616132559509753e-10 ] [ 5.635924948683309e-09 -5.912877680007783e-10 8.213289921729554e-09 ] [ -6.838284642251489e-09 6.392887552552194e-09 3.292404863237616e-09 ] [ 8.667758054802832e-09 -2.401879689293656e-09 -2.735796528629378e-09 ] [ 3.005930236038065e-09 -1.036194191109954e-08 9.719421341295443e-09 ] [ 3.694181572911997e-09 1.25740718177503e-08 -2.80582879024818e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.3376437 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.335837780870041e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3771064 2.1816735 0.8450846 ] [ 1.3465309 2.1765903 2.9019859 ] [ 3.2485997 3.2229462 5.3167268 ] [ 1.9184156 4.2753958 3.7618939 ] [ 4.3633071 2.5955766 1.9305401 ] [ 3.5069552 1.5015627 3.8123597 ] [ 3.7128981 4.714444 2.436769 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3771064e-10 2.1816735e-10 8.450846e-11 ] [ 1.3465309e-10 2.1765903e-10 2.9019859e-10 ] [ 3.2485997e-10 3.2229462e-10 5.3167268e-10 ] [ 1.9184156e-10 4.2753958e-10 3.7618939e-10 ] [ 4.3633071e-10 2.5955766e-10 1.9305401e-10 ] [ 3.5069552e-10 1.5015627e-10 3.8123597e-10 ] [ 3.7128981e-10 4.714444e-10 2.436769e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.27e-05 -2.26e-05 -2.52e-05 ] [ -2.8e-06 1.47e-05 1.81e-05 ] [ 2.1e-05 3.8e-06 -6.64e-05 ] [ 1.09e-05 -3.12e-05 1.58e-05 ] [ 1.29e-05 1.97e-05 -5.4e-06 ] [ -4.51e-05 2.91e-05 2.46e-05 ] [ -9.6e-06 -1.35e-05 3.85e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.034764308416e-14 -3.620919163008e-14 -4.037485084416e-14 ] [ -4.48609453824e-15 2.355199632576e-14 2.899939683648e-14 ] [ 3.36457090368e-14 6.08827115904e-15 -1.0638452762112e-13 ] [ 1.746372516672e-14 -4.998791056896e-14 2.531439060864e-14 ] [ 2.066807840832e-14 3.156287942976e-14 -8.65175375232e-15 ] [ -7.225816559807999e-14 4.662333966527999e-14 3.941354487168e-14 ] [ -1.538089555968e-14 -2.16293843808e-14 6.16837999008e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.23956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.281429012247885e-18 } }