{ "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" [ [ 1.999551 1.685791 2.486539 ] [ 2.806467 1.943327 4.558328 ] [ 1.52714 3.922099 3.002179 ] [ 4.336396 2.072479 2.061694 ] [ 5.046676 1.88237 4.081611 ] [ 3.556935 4.352885 1.849563 ] [ 3.300335 4.140991 4.307093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.999551e-10 1.685791e-10 2.486539e-10 ] [ 2.806467e-10 1.943327e-10 4.558328e-10 ] [ 1.52714e-10 3.922099e-10 3.002179e-10 ] [ 4.336396e-10 2.072479e-10 2.061694e-10 ] [ 5.046676e-10 1.88237e-10 4.081611e-10 ] [ 3.556935e-10 4.352885e-10 1.849563e-10 ] [ 3.300335e-10 4.140991e-10 4.307093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.3363393 -4.5849182 -3.2508127 ] [ -2.0065474 -5.7373927 9.6076227 ] [ -7.7037305 3.6467632 -3.4399377 ] [ 2.7046375 -0.7224026 -8.4097072 ] [ 4.2406178 -1.3909806 2.7679638 ] [ 3.1945473 2.4873856 -3.7471527 ] [ 2.9068147 6.3015453 6.4720238 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.345404825516237e-09 -7.345848748320419e-09 -5.208376106539725e-09 ] [ -3.214843332807026e-09 -9.192316448288588e-09 1.539310847140737e-08 ] [ -1.234273690004389e-08 5.842758740633795e-09 -5.511387759948524e-09 ] [ 4.33330697023896e-09 -1.157416556525134e-09 -1.347383626361343e-08 ] [ 6.79421869690833e-09 -2.228596597306357e-09 4.434766887580727e-09 ] [ 5.118228998099764e-09 3.985231055234581e-09 -6.003600450507596e-09 ] [ 4.657230553337766e-09 1.009618855457212e-08 1.036932522162117e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -13.022633 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.086455813385857e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.954136 1.5973939 2.5931352 ] [ 2.7132155 1.6564674 4.8654 ] [ 1.4631379 3.9397486 2.7163259 ] [ 4.1925198 2.0597373 1.7823197 ] [ 5.0398482 2.1370849 4.0226137 ] [ 3.7897898 4.4203182 1.8735842 ] [ 3.4208528 4.1891918 4.4936283 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.954136e-10 1.5973939e-10 2.5931352e-10 ] [ 2.7132155e-10 1.6564674e-10 4.865400000000001e-10 ] [ 1.4631379e-10 3.9397486e-10 2.7163259e-10 ] [ 4.192519800000001e-10 2.0597373e-10 1.7823197e-10 ] [ 5.0398482e-10 2.1370849e-10 4.0226137e-10 ] [ 3.7897898e-10 4.4203182e-10 1.8735842e-10 ] [ 3.4208528e-10 4.1891918e-10 4.4936283e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.72e-05 -1.15e-05 -3.2e-06 ] [ -2.4e-06 5.4e-06 4.8e-06 ] [ -1.67e-05 -9e-07 1.78e-05 ] [ 1.61e-05 -3.4e-06 -5.3e-06 ] [ -6e-07 1.1e-06 1.96e-05 ] [ 8.6e-06 2.69e-05 4e-06 ] [ 1.22e-05 -1.77e-05 -3.79e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.755743787776e-14 -1.84250311392e-14 -5.126965186560001e-15 ] [ -3.84522388992e-15 8.65175375232e-15 7.69044777984e-15 ] [ -2.675634956736e-14 -1.44195895872e-15 2.851874385024e-14 ] [ 2.579504359488e-14 -5.44740051072e-15 -8.491536090240001e-15 ] [ -9.6130597248e-16 1.76239428288e-15 3.140266176767999e-14 ] [ 1.377871893888e-14 4.309855109952001e-14 6.4087064832e-15 ] [ 1.954655477376e-14 -2.835852618816e-14 -6.072249392832e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.765666 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.846373471814145e-18 } }