{ "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" [ [ 0.148581 1.499098 2.912634 ] [ 0.4436014 1.560152 0.6683764 ] [ 2.110053 0.4783189 0.3653162 ] [ 2.063967 1.021193 2.434749 ] [ 2.249538 2.67297 1.348927 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.48581e-11 1.499098e-10 2.912634e-10 ] [ 4.436014e-11 1.560152e-10 6.683764e-11 ] [ 2.110053e-10 4.783189e-11 3.653162e-11 ] [ 2.063967e-10 1.021193e-10 2.434749e-10 ] [ 2.249538e-10 2.67297e-10 1.348927e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -23.9238384 -3.365668 21.0318092 ] [ -35.4449127 5.4853705 -26.302895 ] [ 11.7476901 -25.3186221 -22.8418166 ] [ 23.0421719 -16.1026766 34.077519 ] [ 24.578889 39.3015963 -5.9646166 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.833021456427728e-08 -5.392394582974694e-09 3.369667299336635e-08 ] [ -5.678901045423701e-08 8.788532371526008e-09 -4.214188342835721e-08 ] [ 1.882187442662361e-08 -4.056490439949019e-08 -3.659662453312135e-08 ] [ 3.691762911063472e-08 -2.579933198082323e-08 5.45982042366678e-08 ] [ 3.93797213210383e-08 6.296809875197978e-08 -9.556369268555586e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 27.92761 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.474496381682029e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0402312 1.221468 2.874087 ] [ 0.2711806 1.9203535 0.39603 ] [ 1.9338405 -0.0700616 0.3985688 ] [ 2.5351164 0.9723346 2.6959726 ] [ 2.3158342 3.1876374 1.3653442 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.02312e-12 1.221468e-10 2.874087e-10 ] [ 2.711806e-11 1.9203535e-10 3.9603e-11 ] [ 1.9338405e-10 -7.00616e-12 3.985688e-11 ] [ 2.5351164e-10 9.723346e-11 2.6959726e-10 ] [ 2.3158342e-10 3.1876374e-10 1.3653442e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.97e-05 -7.6e-06 -1.35e-05 ] [ 1.96e-05 -9.8e-06 1.6e-05 ] [ -1.34e-05 1.35e-05 1.31e-05 ] [ -2.61e-05 2.28e-05 -2.33e-05 ] [ 2e-07 -1.88e-05 7.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.156287942976e-14 -1.217654231808e-14 -2.16293843808e-14 ] [ 3.140266176767999e-14 -1.570133088384e-14 2.56348259328e-14 ] [ -2.146916671872e-14 2.16293843808e-14 2.098851373248e-14 ] [ -4.181680980288e-14 3.652962695424e-14 -3.733071526464e-14 ] [ 3.2043532416e-16 -3.012092047104e-14 1.233675998016e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.5001568 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.522092911889414e-18 } }