{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3012625 -5.798678 -0.685416 ] [ -4.2054935 4.9231572 -0.8504789 ] [ -5.6129491 6.8317429 1.1168785 ] [ 3.8715055 -4.9993224 0.874072 ] [ -2.0792795 1.332625 -1.0385987 ] [ 6.1277983 -0.346748 -2.7046388 ] [ 0.5971558 -1.9427766 3.2881819 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.08485235502376e-09 -9.290506323147301e-09 -1.098157490722253e-09 ] [ -6.737943364626365e-09 7.88776736636319e-09 -1.362617410063701e-09 ] [ -8.992935821760401e-09 1.094565875369639e-08 1.789436620974173e-09 ] [ 6.202835599398614e-09 -8.009797469121745e-09 1.400417723295898e-09 ] [ -3.331373003008714e-09 2.1351006192936e-09 -1.664018555533273e-09 ] [ 9.817815173237985e-09 -5.555515389091584e-10 -4.333309053068568e-09 ] [ 9.567490617351207e-10 -3.112671247957313e-09 5.268248165117724e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.63586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985793920050189e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3126139 2.0077419 2.8162506 ] [ 2.5013598 3.7798072 0.9600378 ] [ 2.1780107 4.5383412 3.2626721 ] [ 4.1225343 1.9486701 0.9881161 ] [ 4.8011103 1.5754974 3.3080946 ] [ 4.568324 3.9995941 2.4768597 ] [ 3.5993341 3.1760012 4.7138524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3126139e-10 2.0077419e-10 2.8162506e-10 ] [ 2.5013598e-10 3.7798072e-10 9.600378e-11 ] [ 2.1780107e-10 4.5383412e-10 3.2626721e-10 ] [ 4.1225343e-10 1.9486701e-10 9.881161e-11 ] [ 4.8011103e-10 1.5754974e-10 3.3080946e-10 ] [ 4.568324e-10 3.9995941e-10 2.4768597e-10 ] [ 3.5993341e-10 3.1760012e-10 4.713852400000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.02e-05 -1.53e-05 -9.4e-06 ] [ 3.46e-05 -9.3e-06 3.04e-05 ] [ -1.44e-05 2.34e-05 8.6e-06 ] [ -2.74e-05 2.71e-05 -3.21e-05 ] [ 3.08e-05 -8.9e-06 2.35e-05 ] [ -1.86e-05 -4.3e-05 -5.9e-06 ] [ -1.51e-05 2.61e-05 -1.52e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.634220153216e-14 -2.451330229824e-14 -1.506046023552e-14 ] [ 5.543531107968001e-14 -1.490024257344e-14 4.870616927232e-14 ] [ -2.307134333952e-14 3.749093292672001e-14 1.377871893888e-14 ] [ -4.389963940992e-14 4.341898642368e-14 -5.142986952768e-14 ] [ 4.934703992064001e-14 -1.425937192512e-14 3.76511505888e-14 ] [ -2.980048514688e-14 -6.889359469439999e-14 -9.45284206272e-15 ] [ -2.419286697408e-14 4.181680980288e-14 -2.435308463616e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.516096 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.60747626028884e-18 } }