{ "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" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.1995037 -19.7822532 -3.3818052 ] [ -10.6420796 2.9508167 12.0180826 ] [ -11.3362565 4.922423 -4.9437439 ] [ 6.9518561 -8.6890945 -6.9998319 ] [ 11.8638804 -4.6350885 10.2818417 ] [ 4.2257778 3.338344 -13.6110171 ] [ 13.1363255 21.8948526 6.6364738 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.275011285510309e-08 -3.169466358378599e-08 -5.418249227539869e-09 ] [ -1.705049113181262e-08 4.727729529006207e-09 1.925509096856328e-08 ] [ -1.816268513169203e-08 7.886591048288199e-09 -7.920750895802615e-09 ] [ 1.113810131458587e-08 -1.392146406382186e-08 -1.121496701971004e-08 ] [ 1.900803180884735e-08 -7.426230430038942e-09 1.647332639050653e-08 ] [ 6.770442395855659e-09 5.348616708987955e-09 -2.180725338292901e-08 ] [ 2.104671359931887e-08 3.507942095158209e-08 1.063280316691174e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.02423 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.845350601921984e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7300968 1.0683706 2.4612082 ] [ 1.9062871 2.7479653 4.4471485 ] [ 1.3842894 3.6227477 2.0718471 ] [ 4.0606448 1.551404 2.1269434 ] [ 4.2965023 2.656301 4.296552 ] [ 3.6228765 3.7851843 1.2312821 ] [ 4.7805081 4.6897321 3.1245336 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7300968e-10 1.0683706e-10 2.4612082e-10 ] [ 1.9062871e-10 2.7479653e-10 4.4471485e-10 ] [ 1.3842894e-10 3.6227477e-10 2.0718471e-10 ] [ 4.0606448e-10 1.551404e-10 2.1269434e-10 ] [ 4.296502300000001e-10 2.656301e-10 4.296552e-10 ] [ 3.6228765e-10 3.7851843e-10 1.2312821e-10 ] [ 4.7805081e-10 4.6897321e-10 3.1245336e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.8e-06 -8.2e-06 1.3e-06 ] [ -6.5e-06 1.03e-05 7.1e-06 ] [ -8.9e-06 1.1e-05 4.6e-06 ] [ 2.92e-05 -5e-06 -8.3e-06 ] [ -1.41e-05 -3.4e-06 -1.66e-05 ] [ -1.21e-05 -1.76e-05 -5.7e-06 ] [ 1.61e-05 1.29e-05 1.76e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.08827115904e-15 -1.313784829056e-14 2.08282960704e-15 ] [ -1.04141480352e-14 1.650241919424e-14 1.137545400768e-14 ] [ -1.425937192512e-14 1.76239428288e-14 7.370012455680001e-15 ] [ 4.678355732736e-14 -8.010883104e-15 -1.329806595264e-14 ] [ -2.259069035328e-14 -5.44740051072e-15 -2.659613190528e-14 ] [ -1.938633711168e-14 -2.819830852608e-14 -9.13240673856e-15 ] [ 2.579504359488e-14 2.066807840832e-14 2.819830852608e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }