{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.966654 1.561504 1.979713 ] [ 1.215751 3.296566 1.975446 ] [ 1.823708 4.192867 4.123573 ] [ 5.205541 2.34853 2.95907 ] [ 3.135824 2.260061 4.318186 ] [ 3.662306 3.63962 2.333021 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966654e-10 1.561504e-10 1.979713e-10 ] [ 1.215751e-10 3.296566e-10 1.975446e-10 ] [ 1.823708e-10 4.192867e-10 4.123573e-10 ] [ 5.205541e-10 2.34853e-10 2.95907e-10 ] [ 3.135824e-10 2.260061e-10 4.318186e-10 ] [ 3.662306e-10 3.63962e-10 2.333021e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6186662 -1.2151139 0.2456226 ] [ 0.8932016 -0.1759798 0.5364807 ] [ 0.398997 -0.4058002 -0.8669063 ] [ 1.455617 -2.0058 1.0325183 ] [ 0.1787944 -0.2801125 -0.3341589 ] [ -2.3079437 4.0828065 -0.6135564 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.91212521719177e-10 -1.946827082189109e-09 3.935307872601101e-10 ] [ 1.431066721181153e-09 -2.819507212930598e-10 8.595368350504186e-10 ] [ 6.392636651693376e-10 -6.501635931559642e-10 -1.388937006284231e-09 ] [ 2.332155526239034e-09 -3.21364586600064e-09 1.654276680808161e-09 ] [ 2.864602076099635e-10 -4.4878969869384e-10 -5.353815772122451e-10 ] [ -3.697733438262649e-09 6.541377121550276e-09 -9.830257196222132e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -6.3879649304906785 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.023464806612246e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.2387133 1.6169963 1.8762065 ] [ 1.4034321 2.9993976 2.4574372 ] [ 2.764548 4.1493863 4.0201298 ] [ 4.5998293 2.7669851 3.4388992 ] [ 2.5565322 1.7914927 4.1392353 ] [ 3.4467291 3.9748901 1.757101 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2387133e-10 1.6169963e-10 1.8762065e-10 ] [ 1.4034321e-10 2.9993976e-10 2.4574372e-10 ] [ 2.764548e-10 4.1493863e-10 4.0201298e-10 ] [ 4.5998293e-10 2.7669851e-10 3.4388992e-10 ] [ 2.5565322e-10 1.7914927e-10 4.1392353e-10 ] [ 3.4467291e-10 3.9748901e-10 1.757101e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 3.7e-06 2.5e-06 ] [ 2.3e-06 -3e-07 2e-07 ] [ 9e-07 -1.8e-06 -1.5e-06 ] [ -4e-06 2e-07 -1.8e-06 ] [ 1.3e-06 1.7e-06 -2.2e-06 ] [ -6e-07 -3.6e-06 2.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 5.928053496960001e-15 4.005441552e-15 ] [ 3.68500622784e-15 -4.8065298624e-16 3.2043532416e-16 ] [ 1.44195895872e-15 -2.88391791744e-15 -2.4032649312e-15 ] [ -6.4087064832e-15 3.2043532416e-16 -2.88391791744e-15 ] [ 2.08282960704e-15 2.72370025536e-15 -3.52478856576e-15 ] [ -9.6130597248e-16 -5.76783583488e-15 4.646312200320001e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.32264193049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.333434232432195e-18 } }