{ "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" [ [ 0.0662807 0.8720519 0.0908129 ] [ 1.491471 1.392356 0.9155942 ] [ 0.0089195 1.355999 1.632084 ] [ 2.755779 1.093572 2.625507 ] [ 1.848544 2.519779 2.293479 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.62807e-12 8.720519e-11 9.08129e-12 ] [ 1.491471e-10 1.392356e-10 9.155942e-11 ] [ 8.919500000000001e-13 1.355999e-10 1.632084e-10 ] [ 2.755779e-10 1.093572e-10 2.625507e-10 ] [ 1.848544e-10 2.519779e-10 2.293479e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -18.0218679 -14.5930105 -32.0450499 ] [ 39.8369015 -2.427623 -10.004884 ] [ -26.6140235 9.1234455 30.6154881 ] [ 11.7594595 -12.2440011 2.1473591 ] [ -6.9604696 20.141189 9.2870867 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.887421565041464e-08 -2.338058044281666e-08 -5.134183018514403e-08 ] [ 6.382575275425955e-08 -3.889480846760982e-09 -1.602959137068045e-08 ] [ -4.264036658842689e-08 1.461737120167245e-08 4.905141967232505e-08 ] [ 1.884073123936932e-08 -1.961705246909029e-08 3.440448574827269e-09 ] [ -1.115190175478732e-08 3.226974239677782e-08 1.487955330867217e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 9.52763077363115 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.526494740289117e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0097872 0.7828929 0.0457479 ] [ 2.0391304 1.481745 0.5089703 ] [ 0.153314 1.2622443 2.1836944 ] [ 2.3346143 0.6770281 2.6497205 ] [ 1.6341483 3.0298476 2.169344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.787199999999999e-13 7.828929e-11 4.57479e-12 ] [ 2.0391304e-10 1.481745e-10 5.089703e-11 ] [ 1.53314e-11 1.2622443e-10 2.1836944e-10 ] [ 2.3346143e-10 6.770281e-11 2.6497205e-10 ] [ 1.6341483e-10 3.0298476e-10 2.169344e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.49e-05 6.99e-05 -0.0001262 ] [ 3.84e-05 -0.0001195 -8.83e-05 ] [ 7.44e-05 -8.84e-05 0.0001034 ] [ -1.93e-05 4.47e-05 7.1e-05 ] [ -2.86e-05 9.33e-05 4e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.039812635466e-13 1.119921467166e-13 -2.021946912108e-13 ] [ 6.152358274559999e-14 -1.91460107763e-13 -1.414721967822e-13 ] [ 1.192019415696e-13 -1.416324144456e-13 1.656650639556e-13 ] [ -3.09220090362e-14 7.16172955398e-14 1.13754541014e-13 ] [ -4.58222517324e-14 1.494830799522e-13 6.408706535999999e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.140382046368849 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.105321307652527e-18 } }