{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0515247 -0.182601 -0.0221147 ] [ -5.1783438 1.6954824 -5.5775464 ] [ -21.247944 6.7803585 4.5191224 ] [ -7.5246767 -15.1732501 -18.6406995 ] [ 12.1431447 -18.1471424 19.331475 ] [ 8.282564 9.3020431 -1.8950749 ] [ 15.5767806 15.7251095 2.2848381 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.286904911333734e-09 -2.925590531347008e-10 -3.543165531600576e-11 ] [ -8.296621370824632e-09 2.716462262257874e-09 -8.936214443507206e-09 ] [ -3.404295911686764e-08 1.086333186934256e-08 7.240432255813585e-09 ] [ -1.205586108781849e-08 -2.431022657177126e-08 -2.986569293425825e-08 ] [ 1.945546254133143e-08 -2.90749272876084e-08 3.097243729057968e-08 ] [ 1.327013040107973e-08 1.490351598049396e-08 -3.036244699444898e-09 ] [ 2.4956753704651e-08 2.519440280041998e-08 3.660714186133092e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.741267 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.361811334837056e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.97102 1.5465886 2.5802013 ] [ 1.9297632 3.7246145 1.3153439 ] [ 2.1272454 3.5028933 3.9727173 ] [ 3.4584557 1.4204302 1.7372866 ] [ 4.1322337 1.7487753 4.2052734 ] [ 4.5454429 3.7415496 1.1593577 ] [ 4.6520772 4.2605906 3.6647718 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.7102e-11 1.5465886e-10 2.5802013e-10 ] [ 1.9297632e-10 3.7246145e-10 1.3153439e-10 ] [ 2.1272454e-10 3.502893300000001e-10 3.9727173e-10 ] [ 3.4584557e-10 1.4204302e-10 1.7372866e-10 ] [ 4.1322337e-10 1.7487753e-10 4.2052734e-10 ] [ 4.5454429e-10 3.7415496e-10 1.1593577e-10 ] [ 4.6520772e-10 4.2605906e-10 3.6647718e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.26e-05 -1.69e-05 1.69e-05 ] [ -9.8e-06 -2.4e-06 -3.76e-05 ] [ 5.92e-05 -2.44e-05 -3.35e-05 ] [ 5.6e-06 1.98e-05 9.6e-06 ] [ -5.54e-05 5.7e-05 -2.79e-05 ] [ -5.6e-05 -1.26e-05 3.1e-06 ] [ 4.39e-05 -2.05e-05 6.93e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.018742542208e-14 -2.707678489152e-14 2.707678489152e-14 ] [ -1.570133088384e-14 -3.84522388992e-15 -6.024184094208e-14 ] [ 9.484885595136001e-14 -3.909310954752e-14 -5.36729167968e-14 ] [ 8.972189076479999e-15 3.172309709184e-14 1.538089555968e-14 ] [ -8.876058479231999e-14 9.13240673856e-14 -4.470072772032e-14 ] [ -8.97218907648e-14 -2.018742542208e-14 4.96674752448e-15 ] [ 7.033555365312e-14 -3.28446207264e-14 1.1103083982144e-13 ] ] } "relaxed-potential-energy" { "source-value" -24.607675 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.942584157724464e-18 } }