{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 8.736523 -5.1693172 1.3973564 ] [ -6.277522 8.6151038 -6.1661749 ] [ -0.507065 -2.7845586 6.8152631 ] [ 0.2743717 0.6865335 3.2006734 ] [ -3.4382813 -3.1548724 -4.4103237 ] [ 2.5030319 0.1013934 3.3843109 ] [ -1.2910583 1.7057176 -4.2211052 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.399745301300358e-08 -8.282159231574303e-09 2.238811773450358e-09 ] [ -1.005769906782095e-08 1.380291800784461e-08 -9.879301345937285e-09 ] [ -8.1240769491921e-10 -4.461354724923753e-09 1.09192552933824e-08 ] [ 4.395919267708577e-10 1.099947932158239e-09 5.128044134545334e-09 ] [ -5.508733959979144e-09 -5.054662842531501e-09 -7.066117580516425e-09 ] [ 4.010299224336624e-09 1.624501363218156e-10 5.42226384617151e-09 ] [ -2.068503441391762e-09 2.732860882922558e-09 -6.762956121095897e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.31148 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.812298895195832e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1328938 1.3267363 3.0421408 ] [ 1.8423512 3.4155853 2.417521 ] [ 0.634922 1.3105481 2.941224 ] [ 2.6679643 4.9372534 4.0167458 ] [ 4.9532376 2.7607436 2.3365724 ] [ 3.4637968 3.5645356 0.6349726 ] [ 4.9605572 4.4788927 3.9426601 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1328938e-10 1.3267363e-10 3.0421408e-10 ] [ 1.8423512e-10 3.4155853e-10 2.417521e-10 ] [ 6.34922e-11 1.3105481e-10 2.941224e-10 ] [ 2.6679643e-10 4.9372534e-10 4.0167458e-10 ] [ 4.9532376e-10 2.7607436e-10 2.3365724e-10 ] [ 3.4637968e-10 3.5645356e-10 6.349726000000001e-11 ] [ 4.9605572e-10 4.4788927e-10 3.9426601e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.92e-05 -9.5e-06 -1.3e-06 ] [ -3.5e-06 8.6e-06 7.8e-06 ] [ -1.98e-05 -1.09e-05 -1.2e-06 ] [ -2.8e-06 1.18e-05 -5.4e-06 ] [ 0.0 -4e-07 5.8e-06 ] [ 1.1e-06 4.7e-06 -5.7e-06 ] [ 5.9e-06 -4.2e-06 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.076179137279999e-14 -1.5220678023e-14 -2.0828296242e-15 ] [ -5.607618218999999e-15 1.37787190524e-14 1.24969777452e-14 ] [ -3.17230973532e-14 -1.74637253106e-14 -1.9226119608e-15 ] [ -4.486094575199999e-15 1.89056842812e-14 -8.6517538236e-15 ] [ 0.0 -6.408706536e-16 9.2926244772e-15 ] [ 1.7623942974e-15 7.530230179799999e-15 -9.1324068138e-15 ] [ 9.452842140600001e-15 -6.729141862799999e-15 0.0 ] ] } "relaxed-potential-energy" { "source-value" -17.411663 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.789655961768234e-18 } }