{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7873106 -2.3540535 1.0272179 ] [ -0.442512 0.3701226 -2.6432631 ] [ -0.2124024 0.5079677 2.209356 ] [ 1.6812614 2.3393166 0.3348549 ] [ 0.6381972 -0.5045483 0.3547896 ] [ -0.7873712 0.7370859 -0.6823211 ] [ -0.0898623 -1.095891 -0.6006342 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.26141063662802e-09 -3.771609481812413e-09 1.645784503847272e-09 ] [ -7.089823808234496e-10 5.930017765497101e-10 -4.234974341443332e-09 ] [ -3.403061594818099e-10 8.138539730615482e-10 3.539778530224205e-09 ] [ 2.693677708533477e-09 3.747998365169345e-09 5.36496692140322e-10 ] [ 1.022504633300022e-09 -8.083754903243846e-10 5.684356024229837e-10 ] [ -1.261507728531241e-09 1.180941796501327e-09 -1.093198914298539e-09 ] [ -1.439752761513158e-10 -1.755810939145133e-09 -9.623220728929113e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.442388 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.275231612692248e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5965191 0.2641948 2.784232 ] [ 1.4485087 2.2764423 2.6143728 ] [ 1.7719382 2.6469185 4.9217068 ] [ 3.556888 3.1522668 2.1859029 ] [ 2.917562 0.632103 5.0767903 ] [ 4.6098174 1.4120938 3.516411 ] [ 3.8781147 3.5206675 4.4783593 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5965191e-10 2.641948e-11 2.784232e-10 ] [ 1.4485087e-10 2.2764423e-10 2.6143728e-10 ] [ 1.7719382e-10 2.6469185e-10 4.9217068e-10 ] [ 3.556888e-10 3.1522668e-10 2.1859029e-10 ] [ 2.917562e-10 6.32103e-11 5.0767903e-10 ] [ 4.6098174e-10 1.4120938e-10 3.516411e-10 ] [ 3.8781147e-10 3.5206675e-10 4.4783593e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-07 2.05e-05 2.98e-05 ] [ 4.8e-05 -4e-06 1.67e-05 ] [ 5.9e-06 -3.12e-05 -1.05e-05 ] [ -2.3e-06 6.3e-06 1.97e-05 ] [ 7.6e-06 3.73e-05 -2.99e-05 ] [ -3.77e-05 -2.36e-05 -8.9e-06 ] [ -2.13e-05 -5.3e-06 -1.68e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6021766208e-16 3.28446207264e-14 4.774486329984001e-14 ] [ 7.69044777984e-14 -6.4087064832e-15 2.675634956736e-14 ] [ 9.45284206272e-15 -4.998791056896e-14 -1.68228545184e-14 ] [ -3.68500622784e-15 1.009371271104e-14 3.156287942976e-14 ] [ 1.217654231808e-14 5.976118795584e-14 -4.790508096192e-14 ] [ -6.040205860416e-14 -3.781136825088e-14 -1.425937192512e-14 ] [ -3.412636202304e-14 -8.491536090240001e-15 -2.691656722944e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }