{ "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" [ [ -1.0094638 -0.4442554 1.8588626 ] [ 2.9896361 -0.1601609 0.497415 ] [ 1.9767272 1.7890574 0.1802807 ] [ -1.6407844 -1.6041801 -2.0915469 ] [ 0.1507421 -0.9361316 -0.0087546 ] [ 0.2040053 2.9198945 0.1419042 ] [ -2.6708625 -1.5642239 -0.578161 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.617339299903927e-09 -7.117756155441524e-10 2.978226198999502e-09 ] [ 4.789925064119691e-09 -2.566060495462867e-10 7.96946683835232e-10 ] [ 3.167066105539446e-09 2.866385939549234e-09 2.888415227214585e-10 ] [ -2.628826405453356e-09 -2.570179851772606e-09 -3.351027544486715e-09 ] [ 2.415154683902957e-10 -1.499848163512097e-09 -1.402641544445568e-11 ] [ 3.268525221792902e-10 4.678186703102505e-09 2.273555916333274e-10 ] [ -4.27919345487144e-09 -2.506162962276597e-09 -9.263160372583489e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.719185 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.319579380903005e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5967776 1.7030387 1.4731421 ] [ 2.382204 4.1097488 1.8143087 ] [ 4.8003801 3.1396577 1.3498431 ] [ 4.6947588 0.8534424 2.3723725 ] [ 4.655944 1.0222023 4.7627293 ] [ 5.7416738 2.8491178 3.6548497 ] [ 4.1588457 4.6806962 3.3866473 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5967776e-10 1.7030387e-10 1.4731421e-10 ] [ 2.382204000000001e-10 4.109748800000001e-10 1.8143087e-10 ] [ 4.800380100000001e-10 3.1396577e-10 1.3498431e-10 ] [ 4.6947588e-10 8.534424e-11 2.3723725e-10 ] [ 4.655944e-10 1.0222023e-10 4.762729300000001e-10 ] [ 5.7416738e-10 2.8491178e-10 3.6548497e-10 ] [ 4.1588457e-10 4.6806962e-10 3.3866473e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.7e-06 -3.18e-05 1.47e-05 ] [ 2.2e-06 9.4e-06 -4.07e-05 ] [ 4.08e-05 -3.08e-05 1.08e-05 ] [ -3.03e-05 5.75e-05 -5.12e-05 ] [ 2.81e-05 5e-06 4.7e-05 ] [ -3.48e-05 -3.1e-06 -3.8e-05 ] [ 3.7e-06 -6.1e-06 5.75e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.554111322176e-14 -5.094921654144e-14 2.355199632576e-14 ] [ 3.52478856576e-15 1.506046023552e-14 -6.520858846656e-14 ] [ 6.536880612864e-14 -4.934703992064001e-14 1.730350750464e-14 ] [ -4.854595161024e-14 9.212515569600001e-14 -8.203144298496001e-14 ] [ 4.502116304448e-14 8.010883104e-15 7.530230117759999e-14 ] [ -5.575574640383999e-14 -4.96674752448e-15 -6.08827115904e-14 ] [ 5.928053496960001e-15 -9.77327738688e-15 9.212515569600001e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.518896 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.768142531822664e-18 } }