{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.539099 2.604661 3.099024 ] [ 2.611969 4.601789 1.586924 ] [ 4.376067 2.909228 1.297188 ] [ 4.596034 1.971363 3.954157 ] [ 4.509814 4.398854 3.387028 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.539099e-10 2.604661e-10 3.099024e-10 ] [ 2.611969e-10 4.601789e-10 1.586924e-10 ] [ 4.376067e-10 2.909228e-10 1.297188e-10 ] [ 4.596034e-10 1.971363e-10 3.954157e-10 ] [ 4.509814000000001e-10 4.398854e-10 3.387028e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.4251429 4.734581 -3.3449446 ] [ 5.2056157 -6.0891469 4.2950318 ] [ -4.872066 3.5139913 8.1016578 ] [ -2.9803291 5.4602094 -4.3443352 ] [ -4.7783635 -7.6196348 -4.7074098 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.189639036047911e-08 7.585634987483886e-09 -5.359192035991208e-09 ] [ 8.340315771409427e-09 -9.755888803796796e-09 6.881399535552542e-09 ] [ -7.805910240194574e-09 5.630034706554599e-09 1.298028671688196e-08 ] [ -4.775013606309905e-09 8.748219845352396e-09 -6.960392290358491e-09 ] [ -7.65578228538406e-09 -1.220800073559408e-08 -7.542101926084803e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.387282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.106184996125667e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6223674 2.7750278 3.0593538 ] [ 2.8068588 4.4892507 1.6682325 ] [ 4.3027565 2.8563954 1.6059333 ] [ 4.6463355 2.1051065 3.6614939 ] [ 4.2546648 4.2601147 3.3293074 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6223674e-10 2.7750278e-10 3.0593538e-10 ] [ 2.8068588e-10 4.4892507e-10 1.6682325e-10 ] [ 4.3027565e-10 2.8563954e-10 1.6059333e-10 ] [ 4.6463355e-10 2.1051065e-10 3.6614939e-10 ] [ 4.2546648e-10 4.2601147e-10 3.3293074e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.69e-05 -4.86e-05 -4.5e-06 ] [ -4.25e-05 4.05e-05 1.97e-05 ] [ 6.26e-05 -5.57e-05 -7.23e-05 ] [ 8.5e-06 -1.25e-05 3.48e-05 ] [ 5.84e-05 7.63e-05 2.24e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.3922914834752e-13 -7.786578377088e-14 -7.2097947936e-15 ] [ -6.8092506384e-14 6.488815314240001e-14 3.156287942976e-14 ] [ 1.0029625646208e-13 -8.924123777856e-14 -1.1583736968384e-13 ] [ 1.36185012768e-14 -2.002720776e-14 5.575574640383999e-14 ] [ 9.356711465472001e-14 1.2224607616704e-13 3.588875630592e-14 ] ] } "relaxed-potential-energy" { "source-value" -28.867458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.625076630952593e-18 } }