{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0415205 -0.2916999 -0.0463124 ] [ -0.7104916 0.061798 4.4659733 ] [ -1.613859 0.9659389 -2.0282518 ] [ -0.4278913 -3.9429144 -1.6916396 ] [ 1.1092069 -0.4430931 -2.1366661 ] [ -1.1503499 2.8139243 0.5215948 ] [ 3.8349053 0.8360461 0.9153017 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.668699795183927e-09 -4.67354760069698e-10 -7.420064453313792e-11 ] [ -1.138333030794786e-09 9.90113108121984e-11 7.155278010377025e-09 ] [ -2.585687159067667e-09 1.547604722701269e-09 -3.249617615055517e-09 ] [ -6.85557437103719e-10 -6.317245269495659e-09 -2.710305417939464e-09 ] [ 1.777145362810044e-09 -7.099134056577965e-10 -3.423316471875915e-09 ] [ -1.843063715519618e-09 4.508403726161006e-09 8.35686994090852e-10 ] [ 6.14419561464201e-09 1.339493515331019e-09 1.466474984718496e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.806912 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333634795744297e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0588587 2.3731707 1.7187127 ] [ 2.5015516 2.7522413 4.9723429 ] [ 1.3018831 3.9014426 3.3487406 ] [ 3.2536607 1.2337973 3.3527965 ] [ 4.0210743 3.5960196 1.4943864 ] [ 3.2689344 5.1145029 3.1138894 ] [ 4.5948691 3.2052316 3.8235484 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0588587e-10 2.3731707e-10 1.7187127e-10 ] [ 2.5015516e-10 2.7522413e-10 4.9723429e-10 ] [ 1.3018831e-10 3.9014426e-10 3.3487406e-10 ] [ 3.253660700000001e-10 1.2337973e-10 3.3527965e-10 ] [ 4.0210743e-10 3.5960196e-10 1.4943864e-10 ] [ 3.2689344e-10 5.1145029e-10 3.1138894e-10 ] [ 4.594869100000001e-10 3.2052316e-10 3.8235484e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.27e-05 -1.08e-05 5.6e-06 ] [ -2.41e-05 -1.86e-05 -1.57e-05 ] [ 6.06e-05 2.85e-05 3.3e-06 ] [ -1.37e-05 2.37e-05 1.8e-06 ] [ -8.67e-05 2.49e-05 5.8e-05 ] [ 1.68e-05 -7.5e-05 -2.71e-05 ] [ -1.56e-05 2.74e-05 -2.59e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.0045647412416e-13 -1.730350750464e-14 8.972189076479999e-15 ] [ -3.861245656128e-14 -2.980048514688e-14 -2.515417294656e-14 ] [ 9.709190322048001e-14 4.56620336928e-14 5.28718284864e-15 ] [ -2.194981970496e-14 3.797158591296e-14 2.88391791744e-15 ] [ -1.3890871302336e-13 3.989419785791999e-14 9.29262440064e-14 ] [ 2.691656722944e-14 -1.2016324656e-13 -4.341898642368e-14 ] [ -2.499395528448e-14 4.389963940992e-14 -4.149637447872e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }