{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6999974 -0.9945484 -1.1722632 ] [ -0.2762487 -0.8152964 0.4068448 ] [ -1.3902267 3.108325 -0.9076608 ] [ 1.3932994 0.4486171 0.2268829 ] [ 0.8668622 -1.221924 0.4435215 ] [ -0.0732768 -0.7362771 0.277524 ] [ 1.179588 0.2111039 0.7251509 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.723696112140752e-09 -1.593442207862085e-09 -1.878172707938068e-09 ] [ -4.425992123128758e-10 -1.306248841864317e-09 6.518372322244032e-10 ] [ -2.227388734702928e-09 4.98008568587805e-09 -1.454232925357747e-09 ] [ 2.23231174284622e-09 7.187638352328412e-10 3.635064810341586e-10 ] [ 1.388866361737835e-09 -1.957738081323816e-09 7.105997839766309e-10 ] [ -1.174023767742912e-10 -1.179645965769281e-09 4.44642468174216e-10 ] [ 1.889908331346792e-09 3.382257359262726e-10 1.16181982810407e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.22767 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.080612360026278e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1239421 2.4232552 1.7513254 ] [ 2.096627 2.4737087 4.1436423 ] [ 2.2424674 4.5454543 2.8507293 ] [ 4.5001593 2.2571526 1.7532056 ] [ 4.3810266 1.7637752 4.080519 ] [ 4.5783345 4.5666225 2.3313523 ] [ 3.9108122 4.0579955 4.572374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1239421e-10 2.4232552e-10 1.7513254e-10 ] [ 2.096627e-10 2.4737087e-10 4.1436423e-10 ] [ 2.2424674e-10 4.545454300000001e-10 2.8507293e-10 ] [ 4.5001593e-10 2.2571526e-10 1.7532056e-10 ] [ 4.3810266e-10 1.7637752e-10 4.080519e-10 ] [ 4.578334500000001e-10 4.5666225e-10 2.3313523e-10 ] [ 3.9108122e-10 4.0579955e-10 4.572374e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.5e-06 -3.6e-06 -3.8e-06 ] [ 1.2e-06 -3.1e-06 6.3e-06 ] [ 9.5e-06 9.8e-06 2.9e-06 ] [ 9.7e-06 1.41e-05 -1e-06 ] [ -8e-07 -6.6e-06 1.24e-05 ] [ -5e-06 -4.1e-06 -6.7e-06 ] [ -6.1e-06 -6.4e-06 -1.02e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.3618501389e-14 -5.767835882399999e-15 -6.088271209199999e-15 ] [ 1.9226119608e-15 -4.9667475654e-15 1.00937127942e-14 ] [ 1.5220678023e-14 1.57013310132e-14 4.6463122386e-15 ] [ 1.55411133498e-14 2.25906905394e-14 -1.602176634e-15 ] [ -1.2817413072e-15 -1.05743657844e-14 1.98669902616e-14 ] [ -8.010883169999999e-15 -6.568924199399999e-15 -1.07345834478e-14 ] [ -9.773277467399999e-15 -1.02539304576e-14 -1.63422016668e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319343288959e-18 } }