{ "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" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8474094 15.482934 -4.2683619 ] [ -5.0859113 -24.6121631 -6.6304902 ] [ -21.9533361 19.811886 14.6062142 ] [ -80.7304817 22.3173927 -11.1773025 ] [ 24.5056868 0.3192959 22.0367251 ] [ 51.2267091 -74.4155267 -86.9840944 ] [ 31.1899238 41.0961812 72.4173097 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.357699528926156e-09 2.480639487618943e-08 -6.838669645293468e-09 ] [ -8.148528180322535e-09 -3.943303230613645e-08 -1.062321638288352e-08 ] [ -3.517312184798466e-08 3.174214056315483e-08 2.340173490963697e-08 ] [ -1.293444903656622e-07 3.575640482115259e-08 -1.790801274910939e-08 ] [ 3.926243846760717e-08 5.115684260972947e-10 3.530672575421655e-08 ] [ 8.207423568054262e-08 -1.192268171032582e-07 -1.393638824291402e-07 ] [ 4.997176671689349e-08 6.584334072280048e-08 1.160253205425731e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 38.451174 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.160557202511283e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0747324 3.0978705 0.8489021 ] [ 0.820642 1.1678451 2.4252308 ] [ 1.1875981 2.7739282 4.676545 ] [ 1.3146759 4.7553554 2.8433557 ] [ 3.8919674 2.6442559 4.7547074 ] [ 4.5441825 2.8824106 1.9406547 ] [ 3.9167898 5.2488473 3.4881976 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0747324e-10 3.0978705e-10 8.489021000000001e-11 ] [ 8.206420000000001e-11 1.1678451e-10 2.4252308e-10 ] [ 1.1875981e-10 2.7739282e-10 4.676545e-10 ] [ 1.3146759e-10 4.7553554e-10 2.8433557e-10 ] [ 3.8919674e-10 2.6442559e-10 4.7547074e-10 ] [ 4.5441825e-10 2.8824106e-10 1.9406547e-10 ] [ 3.9167898e-10 5.2488473e-10 3.4881976e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.81e-05 -7.5e-06 -1.74e-05 ] [ -1.57e-05 3.33e-05 4.56e-05 ] [ -8e-06 -3.81e-05 -5e-05 ] [ 7.83e-05 -5.4e-06 7.9e-06 ] [ 1.03e-05 2.27e-05 1.15e-05 ] [ 6.8e-06 2.09e-05 8e-07 ] [ -5.36e-05 -2.59e-05 1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.899939683648e-14 -1.2016324656e-14 -2.787787320192e-14 ] [ -2.515417294656e-14 5.335248147264001e-14 7.305925390848e-14 ] [ -1.28174129664e-14 -6.104292925248e-14 -8.010883104e-14 ] [ 1.2545042940864e-13 -8.65175375232e-15 1.265719530432e-14 ] [ 1.650241919424e-14 3.636940929216e-14 1.84250311392e-14 ] [ 1.089480102144e-14 3.348549137472e-14 1.28174129664e-15 ] [ -8.587666687488e-14 -4.149637447872e-14 2.4032649312e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.447223 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.115788603008404e-18 } }