{ "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" [ [ 1.79141 2.530899 1.169625 ] [ 2.427567 4.27143 3.28825 ] [ 4.049049 2.026656 0.8582536 ] [ 3.63347 2.471275 3.089518 ] [ 3.6938 4.301317 1.502863 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.79141e-10 2.530899e-10 1.169625e-10 ] [ 2.427567e-10 4.27143e-10 3.28825e-10 ] [ 4.049049e-10 2.026656e-10 8.582536e-11 ] [ 3.63347e-10 2.471275e-10 3.089518e-10 ] [ 3.6938e-10 4.301317e-10 1.502863e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.0361441 -4.4324208 -7.6240708 ] [ -0.9661996 5.229666 6.3081491 ] [ 2.5395716 -2.1404745 -1.6783995 ] [ 3.8047968 -7.737321 9.4039977 ] [ 2.6579754 9.0805504 -6.4096765 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.287532219839986e-08 -7.101520979307633e-09 -1.221510799108395e-08 ] [ -1.548022410146312e-09 8.378848599792652e-09 1.010676900854056e-08 ] [ 4.068842244367649e-09 -3.42941820131857e-09 -2.68909243926241e-09 ] [ 6.095956479854654e-09 -1.239655481382488e-08 1.506686525699697e-08 ] [ 4.258546044541529e-09 1.454864555487609e-08 -1.026943383519117e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.6182316 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.797046078159777e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.5476987 1.7296224 0.2805954 ] [ 3.2553819 4.6325862 3.746689 ] [ 3.7585277 2.3483071 1.1189357 ] [ 3.4539649 2.0905496 3.5469741 ] [ 3.5797227 4.8005118 1.2153154 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5476987e-10 1.7296224e-10 2.805954e-11 ] [ 3.2553819e-10 4.632586200000001e-10 3.746689e-10 ] [ 3.7585277e-10 2.3483071e-10 1.1189357e-10 ] [ 3.4539649e-10 2.0905496e-10 3.5469741e-10 ] [ 3.5797227e-10 4.8005118e-10 1.2153154e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.12e-05 -5.1e-06 2.29e-05 ] [ 8e-07 -2.12e-05 -3.9e-06 ] [ -3.38e-05 3e-06 -2.05e-05 ] [ -1.14e-05 1e-07 1.08e-05 ] [ 1.31e-05 2.3e-05 -9.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.998791056896e-14 -8.17110076608e-15 3.668984461632e-14 ] [ 1.28174129664e-15 -3.396614436096001e-14 -6.24848882112e-15 ] [ -5.415356978304e-14 4.8065298624e-15 -3.28446207264e-14 ] [ -1.826481347712e-14 1.6021766208e-16 1.730350750464e-14 ] [ 2.098851373248e-14 3.68500622784e-14 -1.490024257344e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.649402 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.866439953070076e-18 } }