{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6874791 0.1657934 2.219954 ] [ 0.5100092 2.362694 1.535272 ] [ 2.868635 0.820347 0.8272379 ] [ 1.615801 0.0071538 0.7495484 ] [ 2.741884 2.697599 0.8166341 ] [ 2.318736 2.919901 2.403388 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.874791e-11 1.657934e-11 2.219954e-10 ] [ 5.100092000000001e-11 2.362694e-10 1.535272e-10 ] [ 2.868635e-10 8.203470000000001e-11 8.272379e-11 ] [ 1.615801e-10 7.1538e-13 7.495484e-11 ] [ 2.741884e-10 2.697599e-10 8.166341000000001e-11 ] [ 2.318736e-10 2.919901e-10 2.403388e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.4291919 0.545164 10.4730626 ] [ -3.4658661 -0.4660914 -1.6271561 ] [ 25.3547929 7.2938338 3.1343568 ] [ -19.2014065 -17.160821 -13.0122383 ] [ 3.70399 6.446731 -16.0906443 ] [ -0.9623185 3.3411836 17.1226194 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.698524332016732e-09 8.734490153018112e-10 1.677969604589486e-08 ] [ -5.552929636243275e-09 -7.46760744235941e-10 -2.606991461812107e-09 ] [ 4.062285640960583e-08 1.168600999036082e-08 5.021793186205501e-09 ] [ -3.076404458077716e-08 -2.749466619993368e-08 -2.084790398853834e-08 ] [ 5.934446181676992e-09 1.03288016887866e-08 -2.578005411106878e-08 ] [ -1.541804202463325e-09 5.353166249720379e-09 2.743346048953652e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.3287062 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.334405835515201e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1287428 0.3843036 2.6098367 ] [ 0.2341051 2.2952498 1.3061902 ] [ 3.3467431 0.6959129 1.5444878 ] [ 1.3258326 0.3995038 0.1374865 ] [ 2.4521055 2.6068592 0.2408415 ] [ 2.2550152 2.5916588 2.7131916 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1287428e-10 3.843036e-11 2.6098367e-10 ] [ 2.341051e-11 2.2952498e-10 1.3061902e-10 ] [ 3.3467431e-10 6.959129e-11 1.5444878e-10 ] [ 1.3258326e-10 3.995038e-11 1.374865e-11 ] [ 2.4521055e-10 2.6068592e-10 2.408415e-11 ] [ 2.2550152e-10 2.5916588e-10 2.7131916e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.1e-06 -2.5e-06 -1.5e-06 ] [ 1.8e-06 2.6e-06 -4e-06 ] [ -2.7e-06 -2.3e-06 3.4e-06 ] [ 1.2e-06 2.4e-06 2.4e-06 ] [ -5.8e-06 1e-07 1.8e-06 ] [ 1.4e-06 -4e-07 -2.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.568924145279999e-15 -4.005441552e-15 -2.4032649312e-15 ] [ 2.88391791744e-15 4.16565921408e-15 -6.4087064832e-15 ] [ -4.32587687616e-15 -3.68500622784e-15 5.44740051072e-15 ] [ 1.92261194496e-15 3.84522388992e-15 3.84522388992e-15 ] [ -9.292624400640001e-15 1.6021766208e-16 2.88391791744e-15 ] [ 2.24304726912e-15 -6.408706483200001e-16 -3.52478856576e-15 ] ] } "relaxed-potential-energy" { "source-value" -27.549081 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.413849350272549e-18 } }