{ "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" [ [ 1.175063 2.090387 1.108777 ] [ 2.290473 2.943113 3.7458 ] [ 1.562387 4.346014 1.227002 ] [ 3.205072 1.346551 2.036178 ] [ 4.414518 1.768723 4.119804 ] [ 3.44377 3.554925 2.238453 ] [ 4.008705 3.851776 5.027783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.175063e-10 2.090387e-10 1.108777e-10 ] [ 2.290473e-10 2.943113e-10 3.7458e-10 ] [ 1.562387e-10 4.346014000000001e-10 1.227002e-10 ] [ 3.205072e-10 1.346551e-10 2.036178e-10 ] [ 4.414518e-10 1.768723e-10 4.119804e-10 ] [ 3.44377e-10 3.554925e-10 2.238453e-10 ] [ 4.008705e-10 3.851776e-10 5.027783000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.1953477 -4.2849166 -2.176002 ] [ -19.8505427 -7.3064621 24.481181 ] [ -1.7520608 3.9441678 -1.3887503 ] [ 1.3053549 -8.6905356 -3.2127224 ] [ 2.2365255 -6.8115286 1.4627036 ] [ 19.6249355 18.0943723 -23.5056731 ] [ 1.6311351 5.0549029 4.3392632 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.119511422445641e-09 -6.865193255158724e-09 -3.486339559937268e-09 ] [ -3.180407568615927e-08 -1.170624285382657e-08 3.922317617092475e-08 ] [ -2.807110875107347e-09 6.319253489735184e-09 -2.22502328112049e-09 ] [ 2.091409119857406e-09 -1.392377307526517e-08 -5.147348760808401e-09 ] [ 3.583308897445166e-09 -1.091327196474273e-08 2.343509530387682e-09 ] [ 3.144261310185711e-08 2.899038050595683e-08 -3.766024020726234e-08 ] [ 2.613366544117253e-09 8.098847313518837e-09 6.952266107816069e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.0232946 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.650381867818375e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.4411788 1.7938532 1.7171852 ] [ 1.4763547 2.8783939 4.0845705 ] [ 1.6659672 4.2697027 1.8913174 ] [ 3.8945458 1.5770779 1.6425266 ] [ 3.6389935 1.4275365 4.0887313 ] [ 4.1192102 4.0515361 1.8165858 ] [ 3.8637378 3.9033888 4.2628801 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4411788e-10 1.7938532e-10 1.7171852e-10 ] [ 1.4763547e-10 2.8783939e-10 4.0845705e-10 ] [ 1.6659672e-10 4.2697027e-10 1.8913174e-10 ] [ 3.8945458e-10 1.5770779e-10 1.6425266e-10 ] [ 3.638993500000001e-10 1.4275365e-10 4.0887313e-10 ] [ 4.119210200000001e-10 4.0515361e-10 1.8165858e-10 ] [ 3.8637378e-10 3.9033888e-10 4.262880100000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.33e-05 3.64e-05 -9.9e-06 ] [ -4.3e-06 3.05e-05 -6.9e-06 ] [ -1.58e-05 -3.54e-05 -4.1e-06 ] [ 2.21e-05 4.14e-05 4.3e-05 ] [ -8.4e-06 6.7e-06 -8e-07 ] [ -5.08e-05 -2.05e-05 -1.63e-05 ] [ 3.39e-05 -5.92e-05 -5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.733071557219999e-14 5.831922947759999e-14 -1.58615486766e-14 ] [ -6.8893595262e-15 4.886638733699999e-14 -1.10550187746e-14 ] [ -2.53143908172e-14 -5.671705284359999e-14 -6.568924199399999e-15 ] [ 3.54081036114e-14 6.633011264759999e-14 6.889359526199999e-14 ] [ -1.34582837256e-14 1.07345834478e-14 -1.2817413072e-15 ] [ -8.13905730072e-14 -3.2844620997e-14 -2.61154791342e-14 ] [ 5.431378789259999e-14 -9.48488567328e-14 -8.010883169999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.757316 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.485906331375434e-18 } }