{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8943172 1.9608802 4.1273905 ] [ 6.4825447 -3.7719976 -0.2691398 ] [ -2.8978937 1.6492328 7.5404767 ] [ 4.3531866 6.2313165 -0.5163393 ] [ -4.5201458 3.8904361 -2.8118392 ] [ -2.1900839 -2.4266296 -6.8526785 ] [ -2.1219251 -7.5332383 -1.2178704 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.432854109419318e-09 3.141676412629628e-09 6.612808564012022e-09 ] [ 1.038618156163095e-08 -6.04340636843371e-09 -4.312094952867878e-10 ] [ -4.642937535703609e-09 2.642362234416522e-09 1.208117547842714e-08 ] [ 6.974573796499842e-09 9.983669613105283e-09 -8.272667548602374e-10 ] [ -7.242071923367312e-09 6.233165764136331e-09 -4.505063027688976e-09 ] [ -3.508901222170485e-09 -3.887889212461256e-09 -1.097920128255881e-08 ] [ -3.399698786308702e-09 -1.206957828317514e-08 -1.951243482044344e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.393461 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.549133939779659e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1310589 1.9089741 0.9179768 ] [ 2.8769006 3.4008658 2.5312682 ] [ 4.906024 2.6714911 1.9762425 ] [ 3.473237 1.3279057 3.0247087 ] [ 5.6251549 1.2919535 3.5355962 ] [ 4.38154 3.028626 4.1104313 ] [ 4.6366687 4.7280878 2.717669 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1310589e-10 1.9089741e-10 9.179768e-11 ] [ 2.8769006e-10 3.4008658e-10 2.5312682e-10 ] [ 4.906024000000001e-10 2.6714911e-10 1.9762425e-10 ] [ 3.473237e-10 1.3279057e-10 3.0247087e-10 ] [ 5.6251549e-10 1.2919535e-10 3.5355962e-10 ] [ 4.38154e-10 3.028626e-10 4.1104313e-10 ] [ 4.636668700000001e-10 4.7280878e-10 2.717669e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.39e-05 -7.4e-06 -1.82e-05 ] [ -1.39e-05 -1.09e-05 -1.92e-05 ] [ 3.48e-05 -1.01e-05 -1.51e-05 ] [ 1e-07 -2.22e-05 -2e-06 ] [ -1.39e-05 -4.31e-05 3.46e-05 ] [ 5.25e-05 3.97e-05 -2.38e-05 ] [ -2.57e-05 5.41e-05 4.37e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.431378744512e-14 -1.185610699392e-14 -2.915961449856e-14 ] [ -2.227025502912e-14 -1.746372516672e-14 -3.076179111936e-14 ] [ 5.575574640383999e-14 -1.618198387008e-14 -2.419286697408e-14 ] [ 1.6021766208e-16 -3.556832098176e-14 -3.2043532416e-15 ] [ -2.227025502912e-14 -6.905381235648e-14 5.543531107968001e-14 ] [ 8.4114272592e-14 6.360641184576e-14 -3.813180357504e-14 ] [ -4.117593915456e-14 8.667775518528e-14 7.001511832895999e-14 ] ] } "relaxed-potential-energy" { "source-value" -49.432602 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.919975922971133e-18 } }