{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.0846601 -4.6797757 -0.8505619 ] [ -19.5535204 -13.0868969 1.5357199 ] [ -6.5153611 10.5888962 -7.4790969 ] [ 8.6255553 -4.4792787 -7.8301984 ] [ 7.8573934 -11.1220658 5.0166365 ] [ 5.220378 8.3055646 -0.8336293 ] [ 16.4502149 14.4735562 10.4411301 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.93617600420521e-08 -7.497827278900993e-09 -1.362750401950644e-09 ] [ -3.132819349732233e-08 -2.096752042474703e-08 2.460494540148816e-09 ] [ -1.043875931649254e-08 1.696528207149139e-08 -1.198283429660183e-08 ] [ 1.381966315693486e-08 -7.176595670313895e-09 -1.254536091606418e-08 ] [ 1.258893210962581e-08 -1.781951394657052e-08 8.03753778157154e-09 ] [ 8.363967652247652e-09 1.330698153429756e-08 -1.335621385877776e-09 ] [ 2.635614993705864e-08 2.318919355452583e-08 1.672853467877408e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -15.611688 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.501268173089819e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6840085 2.489139 1.4325898 ] [ 1.6714836 2.755291 5.0001296 ] [ 2.4251058 4.271658 3.128926 ] [ 5.2352537 2.3547154 1.8678704 ] [ 3.5640838 1.7912832 3.6372398 ] [ 4.2127717 4.5817213 1.4116724 ] [ 4.040662 3.8441562 5.00472 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6840085e-10 2.489139e-10 1.4325898e-10 ] [ 1.6714836e-10 2.755291e-10 5.000129600000001e-10 ] [ 2.4251058e-10 4.271658e-10 3.128926e-10 ] [ 5.2352537e-10 2.3547154e-10 1.8678704e-10 ] [ 3.5640838e-10 1.7912832e-10 3.6372398e-10 ] [ 4.2127717e-10 4.5817213e-10 1.4116724e-10 ] [ 4.040662e-10 3.8441562e-10 5.00472e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.06e-05 -4.05e-05 -2.3e-05 ] [ 2e-06 1.53e-05 6.21e-05 ] [ -9.75e-05 3.49e-05 -1.97e-05 ] [ 7.2e-06 -2.94e-05 4.95e-05 ] [ -1.19e-05 2.75e-05 -5.79e-05 ] [ 1.08e-05 4.9e-05 -5.74e-05 ] [ 4.88e-05 -5.67e-05 4.63e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.504837134039999e-14 -6.4888153677e-14 -3.6850062582e-14 ] [ 3.204353268e-15 2.45133025002e-14 9.949516897139999e-14 ] [ -1.56212221815e-13 5.59159645266e-14 -3.15628796898e-14 ] [ 1.15356717648e-14 -4.710399303959999e-14 7.930774338299999e-14 ] [ -1.90659019446e-14 4.4059857435e-14 -9.276602710859999e-14 ] [ 1.73035076472e-14 7.850665506599998e-14 -9.196493879159998e-14 ] [ 7.818621973919999e-14 -9.08434151478e-14 7.41807781542e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.048536 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.013217909510782e-18 } }