{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -45.8940221 -89.4723402 4.4434775 ] [ -209.410502 44.6099262 -34.6682553 ] [ -32.0262591 22.7663714 -2.6740282 ] [ -99.2934805 -126.6217486 4.0718511 ] [ 4.286279 -13.855435 8.3690243 ] [ 13.3544272 41.6808136 -49.5270342 ] [ 368.9835574 120.8924126 69.9849647 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.353032984889961e-08 -1.433504928577389e-07 7.119235824204735e-09 ] [ -3.355126132186102e-07 7.147298140210441e-08 -5.554466858320665e-08 ] [ -5.131172400444986e-08 3.647574829804587e-08 -4.284265500697078e-09 ] [ -1.590856943656346e-07 -2.028704069631422e-07 6.523824689547196e-09 ] [ 6.867376060604886e-09 -2.219885421090579e-08 1.34086551828382e-08 ] [ 2.139615122029404e-08 6.678002563602942e-08 -7.935105694655888e-08 ] [ 5.911768339964777e-07 1.936909986956072e-07 1.121282751736548e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 67.011338 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.073639999566763e-17 } "relaxed-configuration-positions" { "source-value" [ [ 2.1137957 1.2993209 2.9657339 ] [ 2.5894618 1.5535104 5.7479055 ] [ 2.8167249 4.4589384 2.9498349 ] [ 0.6821499 3.527117 4.699212 ] [ 4.3549758 1.0039529 1.3012512 ] [ 4.6101982 3.7981364 0.8868721 ] [ 4.3778498 3.661481 5.15811 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1137957e-10 1.2993209e-10 2.9657339e-10 ] [ 2.5894618e-10 1.5535104e-10 5.7479055e-10 ] [ 2.8167249e-10 4.4589384e-10 2.9498349e-10 ] [ 6.821499e-11 3.527117e-10 4.699212e-10 ] [ 4.3549758e-10 1.0039529e-10 1.3012512e-10 ] [ 4.610198200000001e-10 3.7981364e-10 8.868721000000001e-11 ] [ 4.3778498e-10 3.661481e-10 5.15811e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.7e-06 4.33e-05 4.07e-05 ] [ 1.87e-05 -2.23e-05 -9.8e-06 ] [ -4e-07 -4.45e-05 -8.4e-06 ] [ 2.31e-05 1.52e-05 1.27e-05 ] [ 7.3e-06 1.79e-05 1.31e-05 ] [ 2.23e-05 7.4e-06 7.3e-06 ] [ -6.43e-05 -1.7e-05 -5.56e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.07345834478e-14 6.93742482522e-14 6.520858900379999e-14 ] [ 2.99607030558e-14 -3.572853893819999e-14 -1.57013310132e-14 ] [ -6.408706536e-16 -7.129686021299999e-14 -1.34582837256e-14 ] [ 3.70102802454e-14 2.43530848368e-14 2.03476432518e-14 ] [ 1.16958894282e-14 2.86789617486e-14 2.09885139054e-14 ] [ 3.572853893819999e-14 1.18561070916e-14 1.16958894282e-14 ] [ -1.030199575662e-13 -2.723700277799999e-14 -8.908102085039999e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.839978 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.858279590267405e-18 } }