{ "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" [ [ 1.250049 0.006506 1.072993 ] [ 1.196915 2.832702 0.8072165 ] [ 0.1797786 2.271145 2.71237 ] [ 2.446401 0.6534775 0.0239044 ] [ 1.500106 1.367345 2.855106 ] [ 2.614126 2.99563 2.902741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.250049e-10 6.506e-13 1.072993e-10 ] [ 1.196915e-10 2.832702e-10 8.072165e-11 ] [ 1.797786e-11 2.271145e-10 2.71237e-10 ] [ 2.446401e-10 6.534775e-11 2.39044e-12 ] [ 1.500106e-10 1.367345e-10 2.855106e-10 ] [ 2.614126e-10 2.99563e-10 2.902741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.8672295 -19.0031462 14.7146606 ] [ 1.9196236 8.445741 -6.8687618 ] [ -38.1290161 23.4986481 1.2020355 ] [ 17.3275185 10.1877811 -16.309515 ] [ 27.3594857 -33.712958 5.8880809 ] [ 8.3896178 10.583934 1.3734997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.702428076256808e-08 -3.044639656328436e-08 2.35754851963269e-08 ] [ 3.075576052655931e-09 1.353156877553201e-08 -1.100496956980412e-08 ] [ -6.10894181695268e-08 3.764898460622634e-08 1.925873175471638e-09 ] [ 2.776174503717948e-08 1.632262469624811e-08 -2.613072362958691e-08 ] [ 4.383472834565192e-08 -5.401411312561233e-08 9.433745559359024e-09 ] [ 1.344164949660753e-08 1.695733161089023e-08 2.200589108015814e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 9.1217266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.461461709984947e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7651597 -0.4397109 1.465009 ] [ 1.541796 3.1253178 0.8161068 ] [ -0.256566 2.5322168 2.3180291 ] [ 1.9007876 1.0841255 -0.308041 ] [ 1.3533153 1.007643 3.2801117 ] [ 2.882883 2.8172134 2.8031153 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7651597e-10 -4.397109e-11 1.465009e-10 ] [ 1.541796e-10 3.1253178e-10 8.161068000000001e-11 ] [ -2.56566e-11 2.5322168e-10 2.3180291e-10 ] [ 1.9007876e-10 1.0841255e-10 -3.08041e-11 ] [ 1.3533153e-10 1.007643e-10 3.2801117e-10 ] [ 2.882883e-10 2.8172134e-10 2.8031153e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.6e-06 -3.3e-06 -5e-07 ] [ -1e-07 -2e-06 -1.5e-06 ] [ -7e-06 -0.0 -2e-07 ] [ -4e-07 3.4e-06 1.8e-06 ] [ 1e-06 4.7e-06 -1.1e-06 ] [ 4.9e-06 -2.8e-06 1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.56348259328e-15 -5.28718284864e-15 -8.010883104e-16 ] [ -1.6021766208e-16 -3.2043532416e-15 -2.4032649312e-15 ] [ -1.12152363456e-14 0.0 -3.2043532416e-16 ] [ -6.408706483200001e-16 5.44740051072e-15 2.88391791744e-15 ] [ 1.6021766208e-15 7.53023011776e-15 -1.76239428288e-15 ] [ 7.850665441919999e-15 -4.48609453824e-15 2.4032649312e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.824129 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.375087290752328e-18 } }