{ "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" [ [ 0.0900209 0.6645307 1.771827 ] [ 2.257627 0.9336486 1.950206 ] [ 2.208369 3.070111 3.037465 ] [ 1.738494 0.324563 4.412062 ] [ 4.235476 0.6031948 3.631674 ] [ 3.30736 2.214082 5.333714 ] [ 4.556657 2.857436 3.382282 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.002090000000001e-12 6.645307e-11 1.771827e-10 ] [ 2.257627e-10 9.336486e-11 1.950206e-10 ] [ 2.208369e-10 3.070111e-10 3.037465e-10 ] [ 1.738494e-10 3.24563e-11 4.412062e-10 ] [ 4.235476000000001e-10 6.031948e-11 3.631674e-10 ] [ 3.30736e-10 2.214082e-10 5.333714e-10 ] [ 4.556657000000001e-10 2.857436e-10 3.382282e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.1330327 -1.8626572 -1.180375 ] [ 11.0495409 0.2846347 -0.945454 ] [ -3.3076162 2.3592166 0.5810393 ] [ -0.7333409 -0.666244 0.9802932 ] [ 2.4119648 -10.3764178 -2.6505758 ] [ -4.6198515 2.6390158 6.7899879 ] [ 7.3323357 7.6224519 -3.5749156 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.94392613313419e-08 -2.98430581840479e-09 -1.8911692287768e-09 ] [ 1.770331610055339e-08 4.560350618084218e-10 -1.514784294841843e-09 ] [ -5.299385346219338e-09 3.779881679923265e-09 9.309275822259975e-10 ] [ -1.174941645056431e-09 -1.067440560548275e-09 1.570602846569218e-09 ] [ 3.864393612752548e-09 -1.662485400681297e-08 -4.246690578418257e-09 ] [ -7.401818064867811e-09 4.228169416681809e-09 1.087875986889489e-08 ] [ 1.17476968343972e-08 1.221251422735254e-08 -5.727646195653205e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.465585 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.958512857639517e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.2538454 0.4496546 1.5346129 ] [ 2.0688332 1.0444523 2.1701441 ] [ 2.3669081 3.410263 2.978104 ] [ 1.8915071 0.0555621 4.570669 ] [ 4.3624712 0.4451481 3.5690337 ] [ 3.0459277 2.2775991 5.2738574 ] [ 4.912202 2.9848869 3.4228089 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.538454e-11 4.496546e-11 1.5346129e-10 ] [ 2.0688332e-10 1.0444523e-10 2.1701441e-10 ] [ 2.3669081e-10 3.410263e-10 2.978104e-10 ] [ 1.8915071e-10 5.55621e-12 4.570669e-10 ] [ 4.3624712e-10 4.451481e-11 3.5690337e-10 ] [ 3.0459277e-10 2.2775991e-10 5.2738574e-10 ] [ 4.912201999999999e-10 2.9848869e-10 3.4228089e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.4e-06 -5.26e-05 -1.94e-05 ] [ -5.57e-05 -8e-06 -3.75e-05 ] [ 9.9e-06 3.33e-05 3.01e-05 ] [ 2.06e-05 4.1e-05 -3.24e-05 ] [ -2.51e-05 7.19e-05 4.14e-05 ] [ 5.21e-05 -1.93e-05 1.13e-05 ] [ -4e-07 -6.63e-05 6.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.24304726912e-15 -8.427449025408001e-14 -3.108222644352e-14 ] [ -8.924123777856e-14 -1.28174129664e-14 -6.008162327999999e-14 ] [ 1.586154854592e-14 5.335248147264001e-14 4.822551628608e-14 ] [ 3.300483838848e-14 6.56892414528e-14 -5.191052251392001e-14 ] [ -4.021463318208e-14 1.1519649903552e-13 6.633011210111999e-14 ] [ 8.347340194367999e-14 -3.092200878144e-14 1.810459581504e-14 ] [ -6.408706483200001e-16 -1.0622430995904e-13 1.04141480352e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.742817 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.643800968853279e-18 } }