{ "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" [ [ 0.1515051 0.6129927 0.4125648 ] [ 0.5354239 0.8367141 2.920626 ] [ 0.0380374 2.448484 2.393252 ] [ 2.476891 0.0370714 1.494005 ] [ 2.980221 0.9767319 2.515602 ] [ 2.390623 2.921281 2.114549 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.515051e-11 6.129927e-11 4.125648000000001e-11 ] [ 5.354239e-11 8.367141000000001e-11 2.920626e-10 ] [ 3.80374e-12 2.448484e-10 2.393252e-10 ] [ 2.476891e-10 3.707139999999999e-12 1.494005e-10 ] [ 2.980221e-10 9.767319e-11 2.515602e-10 ] [ 2.390623e-10 2.921281e-10 2.114549e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2313063 -1.3173803 0.817551 ] [ 26.7020157 -82.6065504 28.7389533 ] [ -24.9717562 85.0447096 -26.0655598 ] [ -91.8741567 -176.3371005 -195.6127135 ] [ 91.3981418 165.0886291 195.2766361 ] [ -3.4855509 10.1276925 -3.1548671 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.574946787703751e-09 -2.11067591736249e-09 1.309861098511661e-09 ] [ 4.278134528277455e-08 -1.323502837758169e-07 4.604487908352301e-08 ] [ -4.000916396395745e-08 1.362566454438453e-07 -4.176163051962432e-08 ] [ -1.471986259204557e-07 -2.8252317980076e-07 -3.134061163009485e-07 ] [ 1.464359659765232e-07 2.645011419039425e-07 3.128676609478893e-07 ] [ -5.584468162588399e-09 1.62263521461515e-08 -5.054654309351096e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 70.717339 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.133016672309881e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.0300112 0.6500311 0.4672859 ] [ 0.6733761 0.3982421 3.1356159 ] [ 0.0072334 2.6922973 2.0652678 ] [ 2.2835941 -0.4571841 1.0685543 ] [ 3.1747808 1.1360257 2.9103979 ] [ 2.4037058 3.4138629 2.203477 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.00112e-12 6.500311e-11 4.672859e-11 ] [ 6.733761e-11 3.982421e-11 3.1356159e-10 ] [ 7.2334e-13 2.6922973e-10 2.0652678e-10 ] [ 2.2835941e-10 -4.571841e-11 1.0685543e-10 ] [ 3.174780800000001e-10 1.1360257e-10 2.9103979e-10 ] [ 2.4037058e-10 3.4138629e-10 2.203477e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.96e-05 -6.9e-06 -1.61e-05 ] [ -1.51e-05 8.8e-06 4.45e-05 ] [ 3.4e-06 -1.19e-05 3.5e-06 ] [ -4.4e-06 8e-07 -2.42e-05 ] [ -7.8e-06 -7.3e-06 -6.2e-06 ] [ 4.4e-06 1.65e-05 -1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.140266176767999e-14 -1.105501868352e-14 -2.579504359488e-14 ] [ -2.419286697408e-14 1.409915426304e-14 7.129685962560001e-14 ] [ 5.44740051072e-15 -1.906590178752e-14 5.6076181728e-15 ] [ -7.04957713152e-15 1.28174129664e-15 -3.877267422336e-14 ] [ -1.249697764224e-14 -1.169588933184e-14 -9.93349504896e-15 ] [ 7.04957713152e-15 2.64359142432e-14 -2.4032649312e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.684471 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.15379992290156e-18 } }