{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7440121 1.644003 0.1699327 ] [ 1.624629 1.787277 2.54743 ] [ 2.897237 1.241702 0.9240311 ] [ 2.052276 3.648887 1.374272 ] [ 4.460812 2.919724 2.096642 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.440121e-11 1.644003e-10 1.699327e-11 ] [ 1.624629e-10 1.787277e-10 2.54743e-10 ] [ 2.897237e-10 1.241702e-10 9.240311e-11 ] [ 2.052276e-10 3.648887e-10 1.374272e-10 ] [ 4.460812e-10 2.919724e-10 2.096642e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.0541255 0.4296266 -4.1225596 ] [ -8.9510669 -2.141823 15.440392 ] [ 12.4990361 -6.8259585 -8.5920348 ] [ 0.3849423 7.9962986 -2.4093381 ] [ 1.121214 0.5418564 -0.3164595 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.097601781403567e-09 6.883376998648643e-10 -6.605068663392385e-09 ] [ -1.434119023655082e-08 -3.431578764763782e-09 2.473823528220052e-08 ] [ 2.002566358694249e-08 -1.093639121335369e-08 -1.376595739507486e-08 ] [ 6.167455584982182e-10 1.281148277540691e-08 -3.860185207225954e-09 ] [ 1.796382872513676e-09 8.681496630633575e-10 -5.07024016507323e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -6.3611931 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.019175494918202e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1563039 2.0668794 -0.5657481 ] [ 1.393403 1.563393 3.4297837 ] [ 2.8131962 1.1031585 1.2510137 ] [ 1.8983909 3.3934794 1.5939081 ] [ 4.517672 3.1146826 1.4033504 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1563039e-10 2.0668794e-10 -5.657481e-11 ] [ 1.393403e-10 1.563393e-10 3.4297837e-10 ] [ 2.8131962e-10 1.1031585e-10 1.2510137e-10 ] [ 1.8983909e-10 3.3934794e-10 1.5939081e-10 ] [ 4.517672e-10 3.1146826e-10 1.4033504e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.8e-06 3.8e-06 -2.8e-06 ] [ -5.8e-06 -3.6e-06 1.18e-05 ] [ 6.3e-06 -1.55e-05 -2.7e-06 ] [ -6.4e-06 1.4e-05 1e-06 ] [ -0.0 1.4e-06 -7.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.2926244772e-15 6.088271209199999e-15 -4.486094575199999e-15 ] [ -9.2926244772e-15 -5.767835882399999e-15 1.89056842812e-14 ] [ 1.00937127942e-14 -2.4833737827e-14 -4.3258769118e-15 ] [ -1.02539304576e-14 2.243047287599999e-14 1.602176634e-15 ] [ 0.0 2.2430472876e-15 -1.16958894282e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.793383 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.049725931241282e-18 } }