{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8403174 0.0019487 1.613535 ] [ 0.0637823 2.769237 1.974876 ] [ 2.710551 0.627508 0.2521163 ] [ 2.357874 0.9595638 1.99039 ] [ 1.619464 1.82467 0.5389468 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.403174e-11 1.9487e-13 1.613535e-10 ] [ 6.37823e-12 2.769237e-10 1.974876e-10 ] [ 2.710551e-10 6.27508e-11 2.521163e-11 ] [ 2.357874e-10 9.595638e-11 1.99039e-10 ] [ 1.619464e-10 1.82467e-10 5.389467999999999e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -165.7120613 -110.9871017 -20.717385 ] [ -6.7960437 2.4128558 7.8758443 ] [ 487.5380123 -516.2988592 -281.4896516 ] [ 208.6361962 16.3574812 377.0155864 ] [ -523.6661034 608.5156238 -82.6843941 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.654999903994364e-07 -1.778209395540919e-07 -3.319290989111261e-08 ] [ -1.088846233007513e-08 3.865821152121681e-09 1.261849360652094e-08 ] [ 7.811220050583628e-07 -8.27201961555951e-07 -4.509961387906573e-07 ] [ 3.342720358042818e-07 2.620757395381553e-08 6.040455582072825e-07 ] [ -8.390055879729155e-07 9.74949505843888e-07 -1.324750031320335e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 235.1295 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.767189877603936e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.868875 -0.4860983 1.3358119 ] [ -0.4319801 3.4889029 2.0069555 ] [ 3.0235986 0.1500611 -0.1296694 ] [ 2.9143345 0.9262694 2.4356541 ] [ 1.2171607 2.1037924 0.721112 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.68875e-11 -4.860983e-11 1.3358119e-10 ] [ -4.319801e-11 3.4889029e-10 2.0069555e-10 ] [ 3.0235986e-10 1.500611e-11 -1.296694e-11 ] [ 2.9143345e-10 9.262694000000001e-11 2.4356541e-10 ] [ 1.2171607e-10 2.1037924e-10 7.21112e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.4e-06 -1.14e-05 -8.3e-06 ] [ 1.25e-05 2.6e-05 -3.31e-05 ] [ -3.2e-06 3.43e-05 3.65e-05 ] [ 6.2e-06 -1.85e-05 -5.21e-05 ] [ -2.49e-05 -3.04e-05 5.69e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.506046023552e-14 -1.826481347712e-14 -1.329806595264e-14 ] [ 2.002720776e-14 4.16565921408e-14 -5.303204614848e-14 ] [ -5.126965186560001e-15 5.495465809344e-14 5.84794466592e-14 ] [ 9.93349504896e-15 -2.96402674848e-14 -8.347340194367999e-14 ] [ -3.989419785791999e-14 -4.870616927232e-14 9.116384972352e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.848306 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.539178535248437e-18 } }