{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.555899 1.8926657 -0.5123446 ] [ 0.1376821 0.2069106 0.8836588 ] [ -2.7681792 -1.2446412 -0.1634644 ] [ 0.5259002 -0.3210558 1.4832449 ] [ -1.2960716 0.5097488 -0.8342869 ] [ 1.6257825 0.0422985 0.7167843 ] [ 0.218987 -1.0859266 -1.5735922 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.492825022663966e-09 3.032384760513254e-09 -8.208665466760764e-10 ] [ 2.205910435400514e-10 3.315073286469204e-10 1.415777481788479e-09 ] [ -4.435112032964812e-09 -1.994135048353721e-09 -2.618988421708296e-10 ] [ 8.425850122559268e-10 -5.143881009701771e-10 2.376420321279666e-09 ] [ -2.076535633510994e-09 8.16707616569539e-10 -1.336674977232294e-09 ] [ 2.604790733466105e-09 6.7769668353249e-11 1.148415057078046e-09 ] [ 3.508558545497579e-10 -1.739846224759064e-09 -2.521172654284654e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.917389 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.030899863208863e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3862169 2.168137 3.1506581 ] [ 3.0781483 5.3833316 2.7788489 ] [ 2.7480173 3.5738124 1.2481217 ] [ 4.4852083 2.0288583 2.0099078 ] [ 5.4283801 3.2931782 3.8094623 ] [ 4.996654 4.4053958 1.735082 ] [ 3.2506782 3.8527776 4.5958921 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3862169e-10 2.168137e-10 3.1506581e-10 ] [ 3.0781483e-10 5.383331600000001e-10 2.7788489e-10 ] [ 2.7480173e-10 3.5738124e-10 1.2481217e-10 ] [ 4.4852083e-10 2.0288583e-10 2.0099078e-10 ] [ 5.4283801e-10 3.2931782e-10 3.8094623e-10 ] [ 4.996654000000001e-10 4.4053958e-10 1.735082e-10 ] [ 3.2506782e-10 3.8527776e-10 4.595892100000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5e-06 -1.7e-06 2e-07 ] [ 1.6e-06 -9e-07 -6e-07 ] [ -5.8e-06 1.2e-06 -4.3e-06 ] [ -1.6e-06 1.1e-06 6.1e-06 ] [ -3.8e-06 -2.3e-06 -2.4e-06 ] [ 5.3e-06 3.6e-06 -1.9e-06 ] [ -7e-07 -8e-07 2.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.010883169999999e-15 -2.7237002778e-15 3.204353268e-16 ] [ 2.5634826144e-15 -1.4419589706e-15 -9.613059803999998e-16 ] [ -9.2926244772e-15 1.9226119608e-15 -6.8893595262e-15 ] [ -2.5634826144e-15 1.7623942974e-15 9.773277467399999e-15 ] [ -6.088271209199999e-15 -3.685006258199999e-15 -3.845223921599999e-15 ] [ 8.4915361602e-15 5.767835882399999e-15 -3.0441356046e-15 ] [ -1.1215236438e-15 -1.2817413072e-15 4.6463122386e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319343288959e-18 } }