{ "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" [ [ 596.1833561 -808.1909354 -147.4192833 ] [ 301.903148 1320.0946894 1201.8801173 ] [ 1047.4784275 1210.7155146 422.3114098 ] [ -1097.4865566 -1559.9177306 -1516.9045383 ] [ -848.0783749 -162.701538 40.1322945 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.55191034853501e-07 -1.294864621840363e-06 -2.361917291583519e-07 ] [ 4.837021654715222e-07 2.115024848598918e-06 1.925624224942422e-06 ] [ 1.678245447332848e-06 1.939780091931961e-06 6.76617467478648e-07 ] [ -1.758367302626816e-06 -2.499263718338713e-06 -2.430348987249678e-06 ] [ -1.358771344870837e-06 -2.606766003518028e-07 6.429902398696042e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 861.08546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.379610992522814e-16 } "relaxed-configuration-positions" { "source-value" [ [ 0.3537355 -0.3670939 0.7511843 ] [ -0.0475408 1.3012651 2.9851445 ] [ 3.0127231 3.2925654 0.2692528 ] [ 1.9870935 1.0339968 -1.0668291 ] [ 1.8286214 3.3965824 2.8237486 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.537355e-11 -3.670939e-11 7.511843e-11 ] [ -4.75408e-12 1.3012651e-10 2.9851445e-10 ] [ 3.0127231e-10 3.2925654e-10 2.692528e-11 ] [ 1.9870935e-10 1.0339968e-10 -1.0668291e-10 ] [ 1.8286214e-10 3.3965824e-10 2.8237486e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.1e-06 -1.13e-05 -2.3e-06 ] [ -4.2e-06 -1.38e-05 -2.26e-05 ] [ 1.96e-05 1.83e-05 -1.38e-05 ] [ -2.07e-05 -2.5e-06 3.09e-05 ] [ 7.5e-06 9.3e-06 7.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.36457090368e-15 -1.810459581504e-14 -3.68500622784e-15 ] [ -6.72914180736e-15 -2.211003736704e-14 -3.620919163008e-14 ] [ 3.140266176767999e-14 2.931983216064e-14 -2.211003736704e-14 ] [ -3.316505605055999e-14 -4.005441552e-15 4.950725758272e-14 ] [ 1.2016324656e-14 1.490024257344e-14 1.233675998016e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.190057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.953062433161938e-18 } }