{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.864683 1.866161 1.825326 ] [ 1.617619 4.144917 1.356057 ] [ 3.090269 3.905988 2.739114 ] [ 3.727671 1.752123 3.16656 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.864683e-10 1.866161e-10 1.825326e-10 ] [ 1.617619e-10 4.144917000000001e-10 1.356057e-10 ] [ 3.090269e-10 3.905988e-10 2.739114e-10 ] [ 3.727671e-10 1.752123e-10 3.16656e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4546695 -6.9911887 -3.1057791 ] [ -2.9490226 2.4512111 -2.8780123 ] [ 5.2559991 6.4261022 4.3794531 ] [ 2.1476929 -1.8861246 1.6043383 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.137167326290826e-09 -1.120111908674115e-08 -4.976006663389265e-09 ] [ -4.724855063930831e-09 3.927273117065451e-09 -4.611084021434836e-09 ] [ 8.421038876965841e-09 1.029575070771145e-08 7.016657368710085e-09 ] [ 3.440983353038153e-09 -3.021904738035752e-09 2.570433316114017e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.6124502 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.540084297904428e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8262612 1.771337 1.7011138 ] [ 1.5445002 4.0319336 1.3856941 ] [ 3.3231149 4.0632824 2.8433289 ] [ 3.6063657 1.8026359 3.1569203 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8262612e-10 1.771337e-10 1.7011138e-10 ] [ 1.5445002e-10 4.031933600000001e-10 1.3856941e-10 ] [ 3.3231149e-10 4.063282400000001e-10 2.8433289e-10 ] [ 3.6063657e-10 1.8026359e-10 3.1569203e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0002523 0.0002617 -9.45e-05 ] [ -0.0001391 -7.9e-05 0.0001806 ] [ 1.66e-05 -8e-05 -0.0002749 ] [ -0.0001299 -0.0001027 0.0001888 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.0422916142784e-13 4.192896216633601e-13 -1.514056906656e-13 ] [ -2.2286276795328e-13 -1.265719530432e-13 2.8935309771648e-13 ] [ 2.659613190528e-14 -1.28174129664e-13 -4.4043835305792e-13 ] [ -2.0812274304192e-13 -1.6454353895616e-13 3.0249094600704e-13 ] ] } "relaxed-potential-energy" { "source-value" -11.601991 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.858843873493201e-18 } }