{ "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" [ [ 1.26541 0.4689135 1.770405 ] [ 0.1075881 2.160004 0.6716672 ] [ 0.5668509 2.899878 2.242644 ] [ 2.824031 1.222886 2.646945 ] [ 2.932592 2.399832 0.52394 ] [ 1.820297 2.092873 2.325497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.26541e-10 4.689135e-11 1.770405e-10 ] [ 1.075881e-11 2.160004e-10 6.716672e-11 ] [ 5.668509000000001e-11 2.899878e-10 2.242644e-10 ] [ 2.824031e-10 1.222886e-10 2.646945e-10 ] [ 2.932592e-10 2.399832e-10 5.2394e-11 ] [ 1.820297e-10 2.092873e-10 2.325497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -51.25839 -29.7509227 -28.4187282 ] [ -14.8267339 -10.6455753 -32.1160735 ] [ -137.7472062 97.2770687 27.2500869 ] [ 220.4235738 -136.8338215 102.3269962 ] [ -0.6691537 3.2793772 -2.5894359 ] [ -15.92209 76.6738736 -66.4528455 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.212499475445925e-08 -4.766623318988019e-08 -4.553182229003688e-08 ] [ -2.375504661311569e-08 -1.705609200114754e-08 -5.145562253752659e-08 ] [ -2.206953551724199e-07 1.558550464951527e-07 4.365945250564949e-08 ] [ 3.531574995251346e-07 -2.192319515482268e-07 1.639459223390468e-07 ] [ -1.072102422694646e-09 5.254141523912344e-09 -4.148733694220759e-09 ] [ -2.551000056244506e-08 1.228450887201894e-07 -1.06469196322912e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 123.91551 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.985345347121933e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.8511181 0.151039 0.7839231 ] [ -1.1392501 1.7579565 1.2128502 ] [ 0.4427039 3.5170683 2.2761857 ] [ 3.284168 1.1433785 3.8097316 ] [ 3.8405377 2.7731282 0.2858815 ] [ 2.2374915 1.9018161 1.8125262 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.511181e-11 1.51039e-11 7.839231e-11 ] [ -1.1392501e-10 1.7579565e-10 1.2128502e-10 ] [ 4.427039e-11 3.5170683e-10 2.2761857e-10 ] [ 3.284168000000001e-10 1.1433785e-10 3.8097316e-10 ] [ 3.8405377e-10 2.7731282e-10 2.858815e-11 ] [ 2.2374915e-10 1.9018161e-10 1.8125262e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.6e-06 -1e-06 -4.5e-06 ] [ -9.7e-06 2.7e-06 -5e-07 ] [ 1.5e-06 -3.1e-06 3.5e-06 ] [ -1.4e-06 4.1e-06 5.7e-06 ] [ 6.4e-06 3.4e-06 -9.6e-06 ] [ 1.6e-06 -6.2e-06 5.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.5634826144e-15 -1.602176634e-15 -7.209794853e-15 ] [ -1.55411133498e-14 4.3258769118e-15 -8.010883169999999e-16 ] [ 2.403264951e-15 -4.9667475654e-15 5.607618218999999e-15 ] [ -2.2430472876e-15 6.568924199399999e-15 9.1324068138e-15 ] [ 1.02539304576e-14 5.4474005556e-15 -1.53808956864e-14 ] [ 2.5634826144e-15 -9.9334951308e-15 8.6517538236e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.408087 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.789083023403915e-18 } }