{ "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" [ [ 1.971858 1.613185 3.540739 ] [ 1.980532 3.696797 1.101352 ] [ 1.421419 3.841396 3.166588 ] [ 2.933735 5.314328 3.389927 ] [ 3.610376 2.128489 1.767833 ] [ 4.452161 4.502678 1.60274 ] [ 4.038762 3.260824 3.402783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.971858e-10 1.613185e-10 3.540739e-10 ] [ 1.980532e-10 3.696797e-10 1.101352e-10 ] [ 1.421419e-10 3.841396e-10 3.166588e-10 ] [ 2.933735e-10 5.314328e-10 3.389927e-10 ] [ 3.610376e-10 2.128489e-10 1.767833e-10 ] [ 4.452161e-10 4.502678000000001e-10 1.60274e-10 ] [ 4.038762e-10 3.260824e-10 3.402783e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.480545 -5.8475007 3.9344209 ] [ -8.0266038 0.6071045 -13.4056342 ] [ -13.2021307 3.1616366 4.0986663 ] [ 0.6143818 9.2396691 5.77961 ] [ 3.5975998 -11.3930342 -7.8147582 ] [ 6.6551607 6.7515651 -5.9310263 ] [ 13.8421372 -2.5194405 13.3387214 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.576447826642336e-09 -9.368728911651635e-09 6.303637182366896e-09 ] [ -1.286003695278444e-08 9.726886362824737e-10 -2.147819370223691e-08 ] [ -2.115214515228594e-08 5.065500243985601e-09 6.566787322320839e-09 ] [ 9.843481562050214e-10 1.480358181594818e-08 9.259956019341887e-09 ] [ 5.763990290554755e-09 -1.825365303521483e-08 -1.252062288524509e-08 ] [ 1.066274288120696e-08 1.081719975702921e-08 -9.502551675209927e-09 ] [ 2.217754860374597e-08 -4.036588666596662e-09 2.137098757844465e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 1.2400761 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.986820935432843e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.4990267 1.6546405 3.5288689 ] [ 2.4144497 3.4869634 0.7703554 ] [ 1.181148 4.0069734 3.0082795 ] [ 3.3521992 5.0269636 3.6271556 ] [ 3.4745855 1.694268 2.111698 ] [ 3.7751818 5.4379169 1.2681278 ] [ 4.7122521 3.0499712 3.6574768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4990267e-10 1.6546405e-10 3.5288689e-10 ] [ 2.4144497e-10 3.4869634e-10 7.703554000000001e-11 ] [ 1.181148e-10 4.0069734e-10 3.0082795e-10 ] [ 3.3521992e-10 5.0269636e-10 3.6271556e-10 ] [ 3.4745855e-10 1.694268e-10 2.111698e-10 ] [ 3.7751818e-10 5.4379169e-10 1.2681278e-10 ] [ 4.7122521e-10 3.0499712e-10 3.6574768e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.3e-06 -3.67e-05 -1.7e-06 ] [ 1.69e-05 3.89e-05 2.8e-05 ] [ 2.49e-05 -1.83e-05 -8e-07 ] [ -1.88e-05 2.32e-05 -4.14e-05 ] [ -2.45e-05 1.42e-05 3.13e-05 ] [ 1.23e-05 -2.15e-05 1.8e-05 ] [ -5.5e-06 1e-07 -3.34e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.491536090240001e-15 -5.879988198335999e-14 -2.72370025536e-15 ] [ 2.707678489152e-14 6.232467054911999e-14 4.48609453824e-14 ] [ 3.989419785791999e-14 -2.931983216064e-14 -1.28174129664e-15 ] [ -3.012092047104e-14 3.717049760256e-14 -6.633011210111999e-14 ] [ -3.92533272096e-14 2.275090801536e-14 5.014812823104e-14 ] [ 1.970677243584e-14 -3.44467973472e-14 2.88391791744e-14 ] [ -8.8119714144e-15 1.6021766208e-16 -5.351269913472e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.129296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.783109785716296e-18 } }