{ "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" [ [ 0.09862 0.3102875 1.608695 ] [ 0.216089 2.435481 0.8089597 ] [ 1.587261 0.9923217 0.3598848 ] [ 2.442881 2.780277 0.9615339 ] [ 1.769015 1.574471 2.844855 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.862e-12 3.102875e-11 1.608695e-10 ] [ 2.16089e-11 2.435481e-10 8.089597e-11 ] [ 1.587261e-10 9.923217e-11 3.598848e-11 ] [ 2.442881e-10 2.780277e-10 9.615339e-11 ] [ 1.769015e-10 1.574471e-10 2.844855e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.9255518 -6.7652113 5.255296 ] [ -11.3788109 10.6799528 -0.2775439 ] [ 9.3969961 -12.0470699 -11.9327899 ] [ 7.4894014 8.3298557 0.6671023 ] [ 1.4179651 -0.1975273 6.2879356 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.109595727151664e-08 -1.083906346893276e-08 8.419912455953664e-09 ] [ -1.823086494668451e-08 1.711117082838287e-08 -4.446743514892326e-10 ] [ 1.505564758120913e-08 -1.930153390194471e-08 -1.911843715621119e-08 ] [ 1.199934392572689e-08 1.334590016713171e-08 1.068815717547658e-09 ] [ 2.271830551047473e-09 -3.164736246371081e-10 1.007438349441677e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.9563877 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.736655293985002e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2997158 0.5342839 1.8741489 ] [ -0.0832578 2.6041053 0.3996867 ] [ 1.6322796 0.7790008 -0.3097126 ] [ 2.3297914 2.6729008 1.2813553 ] [ 1.935337 1.5025473 3.33845 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.997158e-11 5.342839e-11 1.8741489e-10 ] [ -8.32578e-12 2.6041053e-10 3.996867e-11 ] [ 1.6322796e-10 7.790008e-11 -3.097126e-11 ] [ 2.3297914e-10 2.6729008e-10 1.2813553e-10 ] [ 1.935337e-10 1.5025473e-10 3.33845e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.2e-06 -1.23e-05 2.2e-05 ] [ 2.1e-06 7.2e-06 4.2e-06 ] [ 8.5e-06 5e-07 -5.2e-06 ] [ 6.9e-06 7.3e-06 -6e-06 ] [ -1.33e-05 -2.7e-06 -1.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.729141862799999e-15 -1.97067725982e-14 3.5247885948e-14 ] [ 3.364570931399999e-15 1.15356717648e-14 6.729141862799999e-15 ] [ 1.3618501389e-14 8.010883169999999e-16 -8.331318496799998e-15 ] [ 1.10550187746e-14 1.16958894282e-14 -9.613059803999999e-15 ] [ -2.13089492322e-14 -4.3258769118e-15 -2.38724318466e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.750145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.722363113111193e-18 } }