{ "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" [ [ 2.700129 2.133533 1.415237 ] [ 2.985807 2.812498 3.555959 ] [ 1.950344 4.41901 2.566342 ] [ 5.113997 2.527784 1.58139 ] [ 5.483026 3.06067 3.469124 ] [ 3.944653 4.730231 1.719663 ] [ 3.598129 4.831394 3.870985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.700129e-10 2.133533e-10 1.415237e-10 ] [ 2.985807e-10 2.812498e-10 3.555959e-10 ] [ 1.950344e-10 4.41901e-10 2.566342e-10 ] [ 5.113997e-10 2.527784e-10 1.58139e-10 ] [ 5.483026e-10 3.06067e-10 3.469124e-10 ] [ 3.944653e-10 4.730231e-10 1.719663e-10 ] [ 3.598129e-10 4.831394000000001e-10 3.870985e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5702242 -0.6005099 -1.280104 ] [ 0.0356696 -8.4187487 4.193036 ] [ -8.4560479 2.0125154 -3.6511791 ] [ -1.9731056 -1.7294392 -8.0646341 ] [ 1.2902396 1.8768808 7.6997066 ] [ 4.0147955 1.2611632 -5.4947953 ] [ 4.5182247 5.5981383 6.5979699 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.135998818543833e-10 -9.62122922338946e-10 -2.050952700992563e-09 ] [ 5.714899919328769e-11 -1.348832234353039e-08 6.717984249372749e-09 ] [ -1.354808224974494e-08 3.22440512287996e-09 -5.849833792373585e-09 ] [ -3.161263662689556e-09 -2.770867053335056e-09 -1.292096821032645e-08 ] [ 2.067191722350344e-09 3.0070945377884e-09 1.233628990153946e-08 ] [ 6.432411487393047e-09 2.020606194053315e-09 -8.803632565741722e-09 ] [ 7.238993981861095e-09 8.969206304265056e-09 1.057111311852211e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -15.838236 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.537565143391291e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.819539 1.9214643 1.6414457 ] [ 2.8253752 2.8956733 3.8741182 ] [ 1.8178214 4.0482199 1.9792836 ] [ 4.9102188 2.9559153 1.3433769 ] [ 5.2472627 2.7441107 3.6610083 ] [ 3.9102954 5.0788627 1.6806174 ] [ 4.2455725 4.8708737 3.99885 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819539e-10 1.9214643e-10 1.6414457e-10 ] [ 2.8253752e-10 2.8956733e-10 3.8741182e-10 ] [ 1.8178214e-10 4.0482199e-10 1.9792836e-10 ] [ 4.9102188e-10 2.9559153e-10 1.3433769e-10 ] [ 5.2472627e-10 2.7441107e-10 3.6610083e-10 ] [ 3.9102954e-10 5.0788627e-10 1.6806174e-10 ] [ 4.2455725e-10 4.8708737e-10 3.99885e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.17e-05 2.84e-05 1.11e-05 ] [ 9.2e-06 -8.9e-06 -2.5e-05 ] [ 8.4e-06 -1.52e-05 3e-06 ] [ -5.4e-06 -1.75e-05 -3.3e-06 ] [ 2.2e-05 4.7e-06 -7.4e-06 ] [ 1.57e-05 -1.13e-05 -2.4e-06 ] [ -2.82e-05 1.97e-05 2.4e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.476723267136e-14 4.550181603071999e-14 1.778416049088e-14 ] [ 1.474002491136e-14 -1.425937192512e-14 -4.005441552e-14 ] [ 1.345828361472e-14 -2.435308463616e-14 4.8065298624e-15 ] [ -8.65175375232e-15 -2.8038090864e-14 -5.28718284864e-15 ] [ 3.52478856576e-14 7.53023011776e-15 -1.185610699392e-14 ] [ 2.515417294656e-14 -1.810459581504e-14 -3.84522388992e-15 ] [ -4.518138070656001e-14 3.156287942976e-14 3.84522388992e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.906032 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.669950894569667e-18 } }