{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 3.027282 5.632261 2.076972 ] [ 2.884751 3.592598 1.127951 ] [ 2.371812 3.264152 3.427474 ] [ 4.423647 2.751313 2.650154 ] [ 4.69656 4.49664 0.8853521 ] [ 4.67919 4.727196 3.249691 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.027282e-10 5.632261e-10 2.076972e-10 ] [ 2.884751e-10 3.592598e-10 1.127951e-10 ] [ 2.371812e-10 3.264152e-10 3.427474e-10 ] [ 4.423647e-10 2.751313e-10 2.650154e-10 ] [ 4.69656e-10 4.496640000000001e-10 8.853521e-11 ] [ 4.679190000000001e-10 4.727196000000001e-10 3.249691e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.068297 -5.8553032 -0.8554973 ] [ -16.0311082 -8.8459305 9.6664405 ] [ 5.264956 4.004485 -5.6677049 ] [ -4.7857281 -7.2232019 -8.0740288 ] [ 15.2620979 8.2516837 5.7925796 ] [ -1.7785147 9.6682669 -0.8617892 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.313777098270777e-09 -9.381229894735427e-09 -1.370657773217524e-09 ] [ -2.568466676355517e-08 -1.417274303632165e-08 1.548734497545426e-08 ] [ 8.435389412740685e-09 6.415892245344288e-09 -9.080664284373603e-09 ] [ -7.667581675325605e-09 -1.157284521149814e-08 -1.293602017902588e-08 ] [ 2.445257643974078e-08 1.322065470637644e-08 9.280735609243016e-09 ] [ -2.849494672089126e-09 1.549027119083449e-08 -1.380738508297936e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.364229 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.185321105401737e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9452967 5.4463279 2.0702033 ] [ 2.7696984 3.4539621 1.1299319 ] [ 2.6451563 3.6536445 3.3274517 ] [ 4.4157827 2.7083916 2.4023281 ] [ 4.7159239 4.5010772 1.1450804 ] [ 4.591384 4.7007567 3.3425987 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9452967e-10 5.4463279e-10 2.0702033e-10 ] [ 2.7696984e-10 3.4539621e-10 1.1299319e-10 ] [ 2.6451563e-10 3.6536445e-10 3.3274517e-10 ] [ 4.4157827e-10 2.7083916e-10 2.4023281e-10 ] [ 4.7159239e-10 4.5010772e-10 1.1450804e-10 ] [ 4.591384e-10 4.7007567e-10 3.3425987e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.35e-05 0.0001215 2.8e-06 ] [ -0.0001202 -2.42e-05 -7.96e-05 ] [ 1.08e-05 -2.38e-05 -1.47e-05 ] [ 9.84e-05 -0.0001117 7.2e-06 ] [ 3.04e-05 -4.9e-05 -4.93e-05 ] [ 2.41e-05 8.73e-05 0.0001337 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.969468300480001e-14 1.946644594272e-13 4.48609453824e-15 ] [ -1.9258162982016e-13 -3.877267422336e-14 -1.2753325901568e-13 ] [ 1.730350750464e-14 -3.813180357504e-14 -2.355199632576e-14 ] [ 1.5765417948672e-13 -1.7896312854336e-13 1.153567166976e-14 ] [ 4.870616927232e-14 -7.85066544192e-14 -7.898730740544e-14 ] [ 3.861245656128e-14 1.3987001899584e-13 2.1421101420096e-13 ] ] } "relaxed-potential-energy" { "source-value" -40.305538 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.457659067236599e-18 } }