{ "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" [ [ -5.119511380267052e-09 -6.865193198597826e-09 -3.486339531214042e-09 ] [ -3.180407542413211e-08 -1.170624275738127e-08 3.922317584777316e-08 ] [ -2.807110851980145e-09 6.31925343767217e-09 -2.225023262788987e-09 ] [ 2.091409102626722e-09 -1.39237729605501e-08 -5.147348718400466e-09 ] [ 3.58330886792303e-09 -1.091327187483056e-08 2.343509511079995e-09 ] [ 3.144261284280796e-08 2.899038026711112e-08 -3.766023989698746e-08 ] [ 2.61336652258627e-09 8.09884724679412e-09 6.952266050537795e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.0232946 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.650381788310889e-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" [ [ 3.733071526464e-14 5.831922899712e-14 -1.586154854592e-14 ] [ -6.889359469440001e-15 4.88663869344e-14 -1.105501868352e-14 ] [ -2.531439060864e-14 -5.671705237632e-14 -6.568924145279999e-15 ] [ 3.540810331968e-14 6.633011210111999e-14 6.889359469439999e-14 ] [ -1.345828361472e-14 1.073458335936e-14 -1.28174129664e-15 ] [ -8.139057233664001e-14 -3.28446207264e-14 -2.611547891904e-14 ] [ 5.431378744512e-14 -9.484885595136001e-14 -8.010883104e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.757316 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.485906302655777e-18 } }