{ "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" [ [ 0.2869528 0.4871961 1.041667 ] [ 1.49337 1.111154 0.3370846 ] [ 0.208303 2.963803 0.6319363 ] [ 0.9157171 2.598087 2.560793 ] [ 2.236963 2.266905 1.430037 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.869528e-11 4.871961e-11 1.041667e-10 ] [ 1.49337e-10 1.111154e-10 3.370846e-11 ] [ 2.08303e-11 2.963803e-10 6.319363e-11 ] [ 9.157170999999999e-11 2.598087e-10 2.560793e-10 ] [ 2.236963e-10 2.266905e-10 1.430037e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -49.7792944 -21.7556736 31.5273059 ] [ 40.0324615 10.8440974 -45.1158308 ] [ -0.6014033 -1.6772601 -3.4140206 ] [ -18.4112758 1.4791228 17.9789435 ] [ 28.7595121 11.1097135 -0.976398 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.975522234468703e-08 -3.485643189885066e-08 5.051231284595034e-08 ] [ 6.413907441680458e-08 1.737415947110015e-08 -7.228352993125751e-08 ] [ -9.63554314870492e-10 -2.687266941360503e-09 -5.46986403331466e-09 ] [ -2.949811588888965e-08 2.369815988976655e-09 2.880544317970618e-08 ] [ 4.607781829186026e-08 1.779972338013436e-08 -1.564362061084332e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 5.9775856 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.577147976054871e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.0692333 0.6981795 1.4000998 ] [ 1.6909078 1.0274226 -0.2270886 ] [ 0.3494165 2.8049168 0.5412441 ] [ 0.5980652 2.4285848 2.8533678 ] [ 2.4336831 2.4680414 1.4338947 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.92333e-12 6.981795e-11 1.4000998e-10 ] [ 1.6909078e-10 1.0274226e-10 -2.270886e-11 ] [ 3.494165e-11 2.8049168e-10 5.412441e-11 ] [ 5.980651999999999e-11 2.4285848e-10 2.8533678e-10 ] [ 2.4336831e-10 2.4680414e-10 1.4338947e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.24e-05 7.19e-05 -5.69e-05 ] [ -2.28e-05 4.2e-06 6.87e-05 ] [ 2.31e-05 -3.08e-05 -6.84e-05 ] [ 2.25e-05 -3.04e-05 9.74e-05 ] [ -7.53e-05 -1.49e-05 -4.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.395405562159998e-14 1.151964999846e-13 -9.116385047459999e-14 ] [ -3.65296272552e-14 6.729141862799999e-15 1.100695347558e-13 ] [ 3.70102802454e-14 -4.93470403272e-14 -1.095888817656e-13 ] [ 3.6048974265e-14 -4.870616967359999e-14 1.560520041516e-13 ] [ -1.206439005402e-13 -2.38724318466e-14 -6.53688066672e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.467452 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.279247335191657e-18 } }