{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.6098784 -1.7976968 -5.8637301 ] [ -4.9689838 -0.5390892 15.5717282 ] [ -9.183866 2.792828 -1.2974398 ] [ -1.0689507 -16.613757 -2.2588 ] [ 6.7092285 0.6881194 -12.0707409 ] [ -2.0741206 13.762414 -0.7527428 ] [ 16.196571 1.7071818 6.6717253 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.988016018010912e-09 -2.880227784246973e-09 -9.394731276901246e-09 ] [ -7.961189673493944e-09 -8.637161127657754e-10 2.494865886749207e-08 ] [ -1.471417539376001e-08 4.474603727515623e-09 -2.078727714455428e-09 ] [ -1.712647820327795e-09 -2.661817304905235e-08 -3.61899655106304e-09 ] [ 1.074936904630505e-08 1.102488814998924e-09 -1.933945886571435e-08 ] [ -3.323107534039669e-09 2.204981795657061e-08 -1.20602691563553e-09 ] [ 2.594976739332728e-08 2.735206767415262e-09 1.068928229605987e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.7874591 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.568123814705621e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7754392 2.4324648 1.676448 ] [ 2.4662948 2.5886103 4.9879634 ] [ 1.2269929 4.0030519 3.4483114 ] [ 3.4536747 1.2615414 3.113038 ] [ 4.1147326 3.2994881 1.5112658 ] [ 3.3031947 5.1684852 2.9602702 ] [ 4.6605031 3.4227643 4.1271201 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7754392e-10 2.4324648e-10 1.676448e-10 ] [ 2.4662948e-10 2.5886103e-10 4.9879634e-10 ] [ 1.2269929e-10 4.0030519e-10 3.448311400000001e-10 ] [ 3.4536747e-10 1.2615414e-10 3.113038e-10 ] [ 4.1147326e-10 3.2994881e-10 1.5112658e-10 ] [ 3.3031947e-10 5.168485200000001e-10 2.9602702e-10 ] [ 4.6605031e-10 3.4227643e-10 4.1271201e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.73e-05 7.6e-06 -6.2e-06 ] [ 2.43e-05 6.4e-06 -2.46e-05 ] [ 2e-05 -1.14e-05 1.88e-05 ] [ -6e-07 2.42e-05 6.8e-06 ] [ 1.61e-05 -2.1e-06 8.7e-06 ] [ -3.4e-06 -1.98e-05 -1.33e-05 ] [ -3.91e-05 -4.9e-06 9.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.771765553984e-14 1.217654231808e-14 -9.93349504896e-15 ] [ 3.893289188544e-14 1.025393037312e-14 -3.941354487168e-14 ] [ 3.2043532416e-14 -1.826481347712e-14 3.012092047104e-14 ] [ -9.6130597248e-16 3.877267422336e-14 1.089480102144e-14 ] [ 2.579504359488e-14 -3.36457090368e-15 1.393893660096e-14 ] [ -5.44740051072e-15 -3.172309709184e-14 -2.130894905664e-14 ] [ -6.264510587328001e-14 -7.850665441919999e-15 1.554111322176e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }