{ "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" [ [ 1.931726 1.779285 1.793394 ] [ 2.022352 0.7174538 3.630998 ] [ 4.124201 0.9725878 2.711634 ] [ 3.467636 2.844975 3.645464 ] [ 5.471294 3.704408 2.165903 ] [ 3.262896 3.451778 1.529715 ] [ 3.831227 5.45457 3.339943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.931726e-10 1.779285e-10 1.793394e-10 ] [ 2.022352e-10 7.174538e-11 3.630998e-10 ] [ 4.124201e-10 9.725878e-11 2.711634e-10 ] [ 3.467636e-10 2.844975e-10 3.645464e-10 ] [ 5.471294000000001e-10 3.704408e-10 2.165903e-10 ] [ 3.262896e-10 3.451778e-10 1.529715e-10 ] [ 3.831227000000001e-10 5.454570000000001e-10 3.339943e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.6185507 0.6209982 -1.7969768 ] [ 5.0402041 0.1972756 4.7477228 ] [ -5.3946829 2.982765 -2.0514492 ] [ -1.3809955 1.0421901 -3.5599556 ] [ -8.0364823 -0.7685154 2.7399707 ] [ 6.2928604 3.4372164 2.7869329 ] [ 0.8605455 -7.51193 -2.8662447 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.195380711919474e-09 9.949487975988824e-10 -2.879074217079998e-09 ] [ 8.075297173080307e-09 3.160703541742925e-10 7.606690472199115e-09 ] [ -8.643234819009544e-09 4.778916348340513e-09 -3.286783946998863e-09 ] [ -2.212598703530006e-09 1.669772612649214e-09 -5.703677633406036e-09 ] [ -1.287586405453301e-08 -1.23129740660476e-09 4.389916997217011e-09 ] [ 1.008227381083814e-08 5.507027756710341e-09 4.465158736118344e-09 ] [ 1.378745881234646e-09 -1.203543862308614e-08 -4.59223024783191e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.211498 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.481286225814596e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8988251 1.9975273 2.0203243 ] [ 2.605098 0.8299872 3.7698817 ] [ 4.0433983 1.4598456 2.2169612 ] [ 3.1261226 2.9655663 3.5817457 ] [ 5.1805665 3.2529098 2.8214245 ] [ 3.4619228 3.4400778 1.4292341 ] [ 3.7953988 4.9791437 2.9774793 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8988251e-10 1.9975273e-10 2.0203243e-10 ] [ 2.605098e-10 8.299872000000001e-11 3.7698817e-10 ] [ 4.0433983e-10 1.4598456e-10 2.2169612e-10 ] [ 3.1261226e-10 2.9655663e-10 3.5817457e-10 ] [ 5.1805665e-10 3.2529098e-10 2.8214245e-10 ] [ 3.4619228e-10 3.4400778e-10 1.4292341e-10 ] [ 3.7953988e-10 4.9791437e-10 2.9774793e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.21e-05 -2.91e-05 8.2e-06 ] [ -3.66e-05 -4.39e-05 -4.26e-05 ] [ -2.54e-05 1.15e-05 -2.82e-05 ] [ -1e-05 4.03e-05 8.8e-06 ] [ 4.32e-05 0.0001338 2.6e-05 ] [ -2.5e-05 -6.76e-05 6.26e-05 ] [ 7.59e-05 -4.51e-05 -3.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.540810331968e-14 -4.662333966527999e-14 1.313784829056e-14 ] [ -5.863966432128e-14 -7.033555365312e-14 -6.825272404608e-14 ] [ -4.069528616832e-14 1.84250311392e-14 -4.518138070656001e-14 ] [ -1.6021766208e-14 6.456771781824e-14 1.409915426304e-14 ] [ 6.921403001856e-14 2.1437123186304e-13 4.16565921408e-14 ] [ -4.005441552e-14 -1.0830713956608e-13 1.0029625646208e-13 ] [ 1.2160520551872e-13 -7.225816559807999e-14 -5.591596406592e-14 ] ] } "relaxed-potential-energy" { "source-value" -49.241665 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.889384443226563e-18 } }