{ "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" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5951933 3.2234768 4.9030839 ] [ 2.4838987 -4.9941219 3.780131 ] [ 2.4025281 -1.6458139 -4.6009864 ] [ -3.7075578 5.0373653 3.3010077 ] [ -5.0015839 2.5002511 -5.3634818 ] [ 3.0324322 -3.5008841 5.0243866 ] [ 1.385476 -0.6202733 -7.044141 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.536047901168007e-10 5.164579166651197e-09 7.855606394400885e-09 ] [ 3.979644425575514e-09 -8.001465349605276e-09 6.056437511761325e-09 ] [ 3.849274352635044e-09 -2.636884552767669e-09 -7.371592842698758e-09 ] [ -5.940162427424682e-09 8.070748914089178e-09 5.28879736202078e-09 ] [ -8.013420791549685e-09 4.005843858549483e-09 -8.5932451460463e-09 ] [ 4.85849197500111e-09 -5.60903465715045e-09 8.0499547443808e-09 ] [ 2.219777255879501e-09 -9.937873797664646e-10 -1.128595802381873e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -35.907126 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.752955779731982e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5292114 3.0232533 0.1954587 ] [ 1.9132859 4.8481629 1.3058931 ] [ 2.6775338 3.0890903 2.3951098 ] [ 4.2985128 2.1566119 1.2256173 ] [ 4.7760698 3.4459053 2.9727223 ] [ 4.0500641 4.3442299 1.093699 ] [ 3.3019173 5.1093704 3.0223385 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5292114e-10 3.0232533e-10 1.954587e-11 ] [ 1.9132859e-10 4.8481629e-10 1.3058931e-10 ] [ 2.6775338e-10 3.0890903e-10 2.3951098e-10 ] [ 4.2985128e-10 2.1566119e-10 1.2256173e-10 ] [ 4.776069800000001e-10 3.4459053e-10 2.9727223e-10 ] [ 4.0500641e-10 4.3442299e-10 1.093699e-10 ] [ 3.3019173e-10 5.1093704e-10 3.0223385e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.7e-05 6.65e-05 2.24e-05 ] [ -9.88e-05 -5.36e-05 -6.19e-05 ] [ -0.0001086 -9.65e-05 0.0001728 ] [ -2.48e-05 -2.72e-05 -5.41e-05 ] [ 7.69e-05 -0.0001043 4.76e-05 ] [ 0.0001139 0.0001377 -6.82e-05 ] [ -5.5e-06 7.75e-05 -5.86e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.530230117759999e-14 1.065447452832e-13 3.588875630592e-14 ] [ -1.5829505013504e-13 -8.587666687488e-14 -9.917473282752e-14 ] [ -1.7399638101888e-13 -1.546100439072e-13 2.7685612007424e-13 ] [ -3.973398019584e-14 -4.357920408576e-14 -8.667775518528e-14 ] [ 1.2320738213952e-13 -1.6710702154944e-13 7.626360715008e-14 ] [ 1.8248791710912e-13 2.2061972068416e-13 -1.0926844553856e-13 ] [ -8.8119714144e-15 1.24168688112e-13 -9.388754997888e-14 ] ] } "relaxed-potential-energy" { "source-value" -52.328123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.383889528094676e-18 } }