{ "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" [ [ 1.040169 0.3467498 1.049872 ] [ 0.0600036 1.405044 1.572488 ] [ 2.420904 2.65585 0.1683769 ] [ 1.553585 1.595169 0.3590691 ] [ 2.059971 2.654503 2.612695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.040169e-10 3.467498e-11 1.049872e-10 ] [ 6.00036e-12 1.405044e-10 1.572488e-10 ] [ 2.420904e-10 2.65585e-10 1.683769e-11 ] [ 1.553585e-10 1.595169e-10 3.590691e-11 ] [ 2.059971e-10 2.654503e-10 2.612695e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 596.1833739 -808.191071 -147.4192659 ] [ 301.9030971 1320.0947444 1201.8801445 ] [ 1047.4786552 1210.7157931 422.3113598 ] [ -1097.4867512 -1559.9179285 -1516.9045328 ] [ -848.0783749 -162.701538 40.1322945 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.55191063372245e-07 -1.294864839095513e-06 -2.361917012804787e-07 ] [ 4.837020839207323e-07 2.115024936718632e-06 1.925624268521626e-06 ] [ 1.678245812148465e-06 1.93978053813815e-06 6.766173873698169e-07 ] [ -1.758367614410386e-06 -2.499264035409466e-06 -2.430348978437707e-06 ] [ -1.358771344870837e-06 -2.606766003518028e-07 6.429902398696042e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 861.0855 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.379611056609879e-16 } "relaxed-configuration-positions" { "source-value" [ [ 0.3537594 -0.3671047 0.7511974 ] [ -0.0475604 1.3012801 2.9851307 ] [ 3.0127229 3.2925632 0.2692537 ] [ 1.9870784 1.0340059 -1.066836 ] [ 1.8286324 3.3965714 2.8237551 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.537594e-11 -3.671047e-11 7.511974e-11 ] [ -4.756040000000001e-12 1.3012801e-10 2.9851307e-10 ] [ 3.0127229e-10 3.2925632e-10 2.692537e-11 ] [ 1.9870784e-10 1.0340059e-10 -1.066836e-10 ] [ 1.8286324e-10 3.3965714e-10 2.8237551e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.5e-06 -1.13e-05 -3.2e-06 ] [ -3e-06 -1.63e-05 -2.52e-05 ] [ 2.17e-05 2.03e-05 -1.54e-05 ] [ -2.26e-05 -3.5e-06 3.55e-05 ] [ 7.5e-06 1.09e-05 8.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.6076181728e-15 -1.810459581504e-14 -5.126965186560001e-15 ] [ -4.8065298624e-15 -2.611547891904e-14 -4.037485084416e-14 ] [ 3.476723267136e-14 3.252418540224e-14 -2.467351996032e-14 ] [ -3.620919163008e-14 -5.6076181728e-15 5.68772700384e-14 ] [ 1.2016324656e-14 1.746372516672e-14 1.329806595264e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.190057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.953062433161938e-18 } }